PubChemLite - Glycylalanyl-n-2-naphthyl-l-prolineamide (C20H24N4O3)

Structural Information

Molecular Formula

SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)CN

InChI

InChI=1S/C20H24N4O3/c1-13(22-18(25)12-21)20(27)24-10-4-7-17(24)19(26)23-16-9-8-14-5-2-3-6-15(14)11-16/h2-3,5-6,8-9,11,13,17H,4,7,10,12,21H2,1H3,(H,22,25)(H,23,26)/t13-,17-/m0/s1

InChIKey

KCELZXZDIUJGNM-GUYCJALGSA-N

Compound name

(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]propanoyl]-N-naphthalen-2-ylpyrrolidine-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]+	369.19212	186.9
[M+Na]+	391.17406	188.6
[M-H]-	367.17756	191.8
[M+NH4]+	386.21866	198.6
[M+K]+	407.14800	185.5
[M+H-H2O]+	351.18210	177.9
[M+HCOO]-	413.18304	205.2
[M+CH3COO]-	427.19869	223.6
[M+Na-2H]-	389.15951	185.5
[M]+	368.18429	182.6
[M]-	368.18539	182.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

369.19212

186.9

[M+Na]+

391.17406

188.6

[M-H]-

367.17756

191.8

[M+NH4]+

386.21866

198.6

[M+K]+

407.14800

185.5

[M+H-H2O]+

351.18210

177.9

[M+HCOO]-

413.18304

205.2

[M+CH3COO]-

427.19869

223.6

[M+Na-2H]-

389.15951

185.5

[M]+

368.18429

182.6

[M]-

368.18539

182.6

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

Glycylalanyl-n-2-naphthyl-l-prolineamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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