PubChemLite - Amxt1501 (C32H68N6O2)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)NCCCC[C@@H](C(=O)NCCCNCCCCNCCCN)N

InChI

InChI=1S/C32H68N6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-31(39)37-28-16-15-21-30(34)32(40)38-29-20-27-36-25-18-17-24-35-26-19-23-33/h30,35-36H,2-29,33-34H2,1H3,(H,37,39)(H,38,40)/t30-/m0/s1

InChIKey

USNCWPSRPOWEBG-PMERELPUSA-N

Compound name

N-[(5S)-5-amino-6-[3-[4-(3-aminopropylamino)butylamino]propylamino]-6-oxohexyl]hexadecanamide

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]+	569.54768	272.7
[M+Na]+	591.52962	285.4
[M-H]-	567.53312	270.7
[M+NH4]+	586.57422	266.8
[M+K]+	607.50356	279.2
[M+H-H2O]+	551.53766	266.4
[M+HCOO]-	613.53860	263.5
[M+CH3COO]-	627.55425	276.5
[M+Na-2H]-	589.51507	255.9
[M]+	568.53985	256.5
[M]-	568.54095	256.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

569.54768

272.7

[M+Na]+

591.52962

285.4

[M-H]-

567.53312

270.7

[M+NH4]+

586.57422

266.8

[M+K]+

607.50356

279.2

[M+H-H2O]+

551.53766

266.4

[M+HCOO]-

613.53860

263.5

[M+CH3COO]-

627.55425

276.5

[M+Na-2H]-

589.51507

255.9

[M]+

568.53985

256.5

[M]-

568.54095

256.5

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

Amxt1501

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe