PubChemLite - H-gly-arg-amc (C18H24N6O4)

Structural Information

Molecular Formula

SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN

InChI

InChI=1S/C18H24N6O4/c1-10-7-16(26)28-14-8-11(4-5-12(10)14)23-17(27)13(24-15(25)9-19)3-2-6-22-18(20)21/h4-5,7-8,13H,2-3,6,9,19H2,1H3,(H,23,27)(H,24,25)(H4,20,21,22)/t13-/m0/s1

InChIKey

JNTASUHAFOHMQK-ZDUSSCGKSA-N

Compound name

(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide

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]+	389.19318	193.9
[M+Na]+	411.17512	196.5
[M-H]-	387.17862	198.5
[M+NH4]+	406.21972	202.7
[M+K]+	427.14906	196.1
[M+H-H2O]+	371.18316	184.0
[M+HCOO]-	433.18410	217.2
[M+CH3COO]-	447.19975	239.9
[M+Na-2H]-	409.16057	194.4
[M]+	388.18535	192.2
[M]-	388.18645	192.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.19318

193.9

[M+Na]+

411.17512

196.5

[M-H]-

387.17862

198.5

[M+NH4]+

406.21972

202.7

[M+K]+

427.14906

196.1

[M+H-H2O]+

371.18316

184.0

[M+HCOO]-

433.18410

217.2

[M+CH3COO]-

447.19975

239.9

[M+Na-2H]-

409.16057

194.4

[M]+

388.18535

192.2

[M]-

388.18645

192.2

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

H-gly-arg-amc

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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