PubChemLite - N-[4-amino-1-[[4-amino-1-[(4-amino-1-carbamoyl-butyl)carbamoyl]butyl]carbamoyl]butyl]octanamide (C23H47N7O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H47N7O4/c1-2-3-4-5-6-13-20(31)28-18(11-8-15-25)22(33)30-19(12-9-16-26)23(34)29-17(21(27)32)10-7-14-24/h17-19H,2-16,24-26H2,1H3,(H2,27,32)(H,28,31)(H,29,34)(H,30,33)

InChIKey

JPXHZOJJUGDJPM-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]octanamide

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]+	486.37624	220.0
[M+Na]+	508.35818	236.8
[M-H]-	484.36168	230.4
[M+NH4]+	503.40278	219.8
[M+K]+	524.33212	227.2
[M+H-H2O]+	468.36622	216.0
[M+HCOO]-	530.36716	204.2
[M+CH3COO]-	544.38281	261.4
[M+Na-2H]-	506.34363	211.4
[M]+	485.36841	200.7
[M]-	485.36951	200.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.37624

220.0

[M+Na]+

508.35818

236.8

[M-H]-

484.36168

230.4

[M+NH4]+

503.40278

219.8

[M+K]+

524.33212

227.2

[M+H-H2O]+

468.36622

216.0

[M+HCOO]-

530.36716

204.2

[M+CH3COO]-

544.38281

261.4

[M+Na-2H]-

506.34363

211.4

[M]+

485.36841

200.7

[M]-

485.36951

200.7

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]octanamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe