CID 132680

N1,n12-diacetylspermine

Structural Information

Molecular Formula

C₁₄H₃₀N₄O₂

SMILES

CC(=O)NCCCNCCCCNCCCNC(=O)C

InChI

InChI=1S/C14H30N4O2/c1-13(19)17-11-5-9-15-7-3-4-8-16-10-6-12-18-14(2)20/h15-16H,3-12H2,1-2H3,(H,17,19)(H,18,20)

InChIKey

NPDTUDWGJMBVEP-UHFFFAOYSA-N

Compound name

N-[3-[4-(3-acetamidopropylamino)butylamino]propyl]acetamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 154
Patents: 286.23688 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

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]+	287.24416	173.6
[M+Na]+	309.22610	176.7
[M+NH4]+	304.27070	177.4
[M+K]+	325.20004	172.0
[M-H]-	285.22960	172.6
[M+Na-2H]-	307.21155	173.3
[M]+	286.23633	172.8
[M]-	286.23743	172.8

Literature stripe

literature stripe

Patent stripe

patents stripe