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

138
Patents

286.23688 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.24416 172.9
[M+Na]+ 309.22610 173.3
[M-H]- 285.22960 171.6
[M+NH4]+ 304.27070 187.1
[M+K]+ 325.20004 172.0
[M+H-H2O]+ 269.23414 164.6
[M+HCOO]- 331.23508 196.9
[M+CH3COO]- 345.25073 214.1
[M+Na-2H]- 307.21155 174.2
[M]+ 286.23633 173.8
[M]- 286.23743 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.