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

155
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

literature stripe

Patent stripe

patents stripe