PubChemLite - Prvxccqfcwsnbh-uhfffaoysa-n (C24H43N9O5)

Structural Information

Molecular Formula

SMILES

CCC(C)C(C(=O)N(C(=O)C(CCCN=C(N)N)N)C(CC(C)C)(C(=O)C(CC1=CN=CN1)N)C(=O)O)N

InChI

InChI=1S/C24H43N9O5/c1-5-14(4)18(27)21(36)33(20(35)16(25)7-6-8-31-23(28)29)24(22(37)38,10-13(2)3)19(34)17(26)9-15-11-30-12-32-15/h11-14,16-18H,5-10,25-27H2,1-4H3,(H,30,32)(H,37,38)(H4,28,29,31)

InChIKey

PRVXCCQFCWSNBH-UHFFFAOYSA-N

Compound name

4-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]-(2-amino-3-methylpentanoyl)amino]-5-(1H-imidazol-5-yl)-2-(2-methylpropyl)-3-oxopentanoic 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]+	538.34603	231.6
[M+Na]+	560.32797	232.1
[M-H]-	536.33147	231.3
[M+NH4]+	555.37257	233.8
[M+K]+	576.30191	230.9
[M+H-H2O]+	520.33601	211.0
[M+HCOO]-	582.33695	235.1
[M+CH3COO]-	596.35260	270.2
[M+Na-2H]-	558.31342	259.6
[M]+	537.33820	267.8
[M]-	537.33930	267.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

538.34603

231.6

[M+Na]+

560.32797

232.1

[M-H]-

536.33147

231.3

[M+NH4]+

555.37257

233.8

[M+K]+

576.30191

230.9

[M+H-H2O]+

520.33601

211.0

[M+HCOO]-

582.33695

235.1

[M+CH3COO]-

596.35260

270.2

[M+Na-2H]-

558.31342

259.6

[M]+

537.33820

267.8

[M]-

537.33930

267.8

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

Prvxccqfcwsnbh-uhfffaoysa-n

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe