CID 118842

N-(3-aminopropyl)stearamide

Structural Information

Molecular Formula
C21H44N2O
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCCN
InChI
InChI=1S/C21H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)23-20-17-19-22/h2-20,22H2,1H3,(H,23,24)
InChIKey
YTJWICLLALFBPN-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

407
Patents

340.34537 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.35265 194.6
[M+Na]+ 363.33459 199.4
[M+NH4]+ 358.37919 199.2
[M+K]+ 379.30853 191.1
[M-H]- 339.33809 193.8
[M+Na-2H]- 361.32004 193.7
[M]+ 340.34482 194.5
[M]- 340.34592 194.5
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