CID 15825518

Isostearoyl monoispropanolamine

Structural Information

Molecular Formula
C21H43NO2
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCC(C)O
InChI
InChI=1S/C21H43NO2/c1-19(2)16-14-12-10-8-6-4-5-7-9-11-13-15-17-21(24)22-18-20(3)23/h19-20,23H,4-18H2,1-3H3,(H,22,24)
InChIKey
BQMLMKGBPOALFD-UHFFFAOYSA-N
Compound name
N-(2-hydroxypropyl)-16-methylheptadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

136
Patents

341.32938 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.33666 194.6
[M+Na]+ 364.31860 199.3
[M+NH4]+ 359.36320 198.7
[M+K]+ 380.29254 192.9
[M-H]- 340.32210 192.3
[M+Na-2H]- 362.30405 192.7
[M]+ 341.32883 194.0
[M]- 341.32993 194.0
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