(2s)-n-[(2s)-1-[(2s)-2-carbamoylpyrrolidin-1-yl]-3-(1h-imidazol-2-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide (C16H22N6O4)

Structural Information

Molecular Formula

SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=NC=CN2)NC(=O)[C@@H]3CCC(=O)N3)C(=O)N

InChI

InChI=1S/C16H22N6O4/c17-14(24)11-2-1-7-22(11)16(26)10(8-12-18-5-6-19-12)21-15(25)9-3-4-13(23)20-9/h5-6,9-11H,1-4,7-8H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t9-,10-,11-/m0/s1

InChIKey

BSAPSHRFTPLHGL-DCAQKATOSA-N

Compound name

(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-2-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.177536	182.1
[M+Na]+	385.159478	182.6
[M-H]-	361.162984	184.3
[M+NH4]+	380.204083	191.0
[M+K]+	401.133418	180.6
[M+H-H2O]+	345.167520	172.6
[M+HCOO]-	407.168461	194.8
[M+CH3COO]-	421.184111	212.1
[M+Na-2H]-	383.144926	174.5
[M]+	362.16971142	173.7
[M]-	362.17080858	173.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

363.177536

182.1

[M+Na]+

385.159478

182.6

[M-H]-

361.162984

184.3

[M+NH4]+

380.204083

191.0

[M+K]+

401.133418

180.6

[M+H-H2O]+

345.167520

172.6

[M+HCOO]-

407.168461

194.8

[M+CH3COO]-

421.184111

212.1

[M+Na-2H]-

383.144926

174.5

[M]+

362.16971142

173.7

[M]-

362.17080858

173.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

(2s)-n-[(2s)-1-[(2s)-2-carbamoylpyrrolidin-1-yl]-3-(1h-imidazol-2-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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