PubChemLite - N-[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]decanamide (C25H51N7O4)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCC(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)NC(CCCN)C(=O)N

InChI

InChI=1S/C25H51N7O4/c1-2-3-4-5-6-7-8-15-22(33)30-20(13-10-17-27)24(35)32-21(14-11-18-28)25(36)31-19(23(29)34)12-9-16-26/h19-21H,2-18,26-28H2,1H3,(H2,29,34)(H,30,33)(H,31,36)(H,32,35)

InChIKey

GRPQQAJCJGKFGL-UHFFFAOYSA-N

Compound name

N-[5-amino-1-[[5-amino-1-[(1,5-diamino-1-oxopentan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]decanamide

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]+	514.40755	226.2
[M+Na]+	536.38949	242.7
[M-H]-	512.39299	236.0
[M+NH4]+	531.43409	225.9
[M+K]+	552.36343	233.9
[M+H-H2O]+	496.39753	222.0
[M+HCOO]-	558.39847	209.6
[M+CH3COO]-	572.41412	266.9
[M+Na-2H]-	534.37494	216.9
[M]+	513.39972	206.9
[M]-	513.40082	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

514.40755

226.2

[M+Na]+

536.38949

242.7

[M-H]-

512.39299

236.0

[M+NH4]+

531.43409

225.9

[M+K]+

552.36343

233.9

[M+H-H2O]+

496.39753

222.0

[M+HCOO]-

558.39847

209.6

[M+CH3COO]-

572.41412

266.9

[M+Na-2H]-

534.37494

216.9

[M]+

513.39972

206.9

[M]-

513.40082

206.9

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

N-[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]decanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe