PubChemLite - 77026-80-3 (C16H21N5O5)

Structural Information

Molecular Formula

SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=CN2)NC(=O)C3CCC(=O)O3)C(=O)N

InChI

InChI=1S/C16H21N5O5/c17-14(23)11-2-1-5-21(11)16(25)10(6-9-7-18-8-19-9)20-15(24)12-3-4-13(22)26-12/h7-8,10-12H,1-6H2,(H2,17,23)(H,18,19)(H,20,24)/t10-,11-,12?/m0/s1

InChIKey

KZAVRHNKDXLWFV-NDQFZYFBSA-N

Compound name

(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[(5-oxooxolane-2-carbonyl)amino]propanoyl]pyrrolidine-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]+	364.16155	181.8
[M+Na]+	386.14349	183.9
[M+NH4]+	381.18809	183.6
[M+K]+	402.11743	190.3
[M-H]-	362.14699	181.8
[M+Na-2H]-	384.12894	181.1
[M]+	363.15372	180.9
[M]-	363.15482	180.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

364.16155

181.8

[M+Na]+

386.14349

183.9

[M+NH4]+

381.18809

183.6

[M+K]+

402.11743

190.3

[M-H]-

362.14699

181.8

[M+Na-2H]-

384.12894

181.1

[M]+

363.15372

180.9

[M]-

363.15482

180.9

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

77026-80-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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