CID 3016332

42195-41-5

Structural Information

Molecular Formula
C24H51N3O
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCN
InChI
InChI=1S/C24H51N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(28)27-23-18-22-26-21-17-20-25/h26H,2-23,25H2,1H3,(H,27,28)
InChIKey
BRJUKRUKZLOPBX-UHFFFAOYSA-N
Compound name
N-[3-(3-aminopropylamino)propyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.4032 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.41048 210.3
[M+Na]+ 420.39242 207.4
[M-H]- 396.39592 206.5
[M+NH4]+ 415.43702 220.3
[M+K]+ 436.36636 202.7
[M+H-H2O]+ 380.40046 200.9
[M+HCOO]- 442.40140 230.0
[M+CH3COO]- 456.41705 236.6
[M+Na-2H]- 418.37787 206.6
[M]+ 397.40265 214.9
[M]- 397.40375 214.9
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

patents stripe