PubChemLite - Zvad peptide (C20H27N3O8)

Structural Information

Molecular Formula

SMILES

C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H27N3O8/c1-11(2)16(23-20(30)31-10-13-7-5-4-6-8-13)18(27)21-12(3)17(26)22-14(19(28)29)9-15(24)25/h4-8,11-12,14,16H,9-10H2,1-3H3,(H,21,27)(H,22,26)(H,23,30)(H,24,25)(H,28,29)/t12-,14-,16-/m0/s1

InChIKey

ZEQLKYSQIAZNOS-NOLJZWGESA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]butanedioic acid

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]+	438.18708	201.8
[M+Na]+	460.16902	199.2
[M-H]-	436.17252	200.9
[M+NH4]+	455.21362	207.8
[M+K]+	476.14296	201.5
[M+H-H2O]+	420.17706	193.2
[M+HCOO]-	482.17800	192.4
[M+CH3COO]-	496.19365	234.2
[M+Na-2H]-	458.15447	194.6
[M]+	437.17925	201.5
[M]-	437.18035	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.18708

201.8

[M+Na]+

460.16902

199.2

[M-H]-

436.17252

200.9

[M+NH4]+

455.21362

207.8

[M+K]+

476.14296

201.5

[M+H-H2O]+

420.17706

193.2

[M+HCOO]-

482.17800

192.4

[M+CH3COO]-

496.19365

234.2

[M+Na-2H]-

458.15447

194.6

[M]+

437.17925

201.5

[M]-

437.18035

201.5

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

Zvad peptide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe