PubChemLite - Pglu-gly-arg p-nitroanilide hydrochloride (C19H26N8O6)

Structural Information

Molecular Formula

SMILES

C1CC(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H26N8O6/c20-19(21)22-9-1-2-13(18(31)24-11-3-5-12(6-4-11)27(32)33)26-16(29)10-23-17(30)14-7-8-15(28)25-14/h3-6,13-14H,1-2,7-10H2,(H,23,30)(H,24,31)(H,25,28)(H,26,29)(H4,20,21,22)/t13-,14-/m0/s1

InChIKey

DGYWXYFLXYIOCP-KBPBESRZSA-N

Compound name

(2S)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-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]+	463.20482	195.5
[M+Na]+	485.18676	191.4
[M-H]-	461.19026	198.7
[M+NH4]+	480.23136	199.5
[M+K]+	501.16070	187.1
[M+H-H2O]+	445.19480	189.2
[M+HCOO]-	507.19574	217.1
[M+CH3COO]-	521.21139	239.4
[M+Na-2H]-	483.17221	195.7
[M]+	462.19699	186.2
[M]-	462.19809	186.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.20482

195.5

[M+Na]+

485.18676

191.4

[M-H]-

461.19026

198.7

[M+NH4]+

480.23136

199.5

[M+K]+

501.16070

187.1

[M+H-H2O]+

445.19480

189.2

[M+HCOO]-

507.19574

217.1

[M+CH3COO]-

521.21139

239.4

[M+Na-2H]-

483.17221

195.7

[M]+

462.19699

186.2

[M]-

462.19809

186.2

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

Pglu-gly-arg p-nitroanilide hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe