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
3
Annotation Hits

0
References

159
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 198.1
[M+Na]+ 364.31860 197.4
[M-H]- 340.32210 194.3
[M+NH4]+ 359.36320 210.6
[M+K]+ 380.29254 194.2
[M+H-H2O]+ 324.32664 190.7
[M+HCOO]- 386.32758 214.1
[M+CH3COO]- 400.34323 219.2
[M+Na-2H]- 362.30405 193.0
[M]+ 341.32883 202.4
[M]- 341.32993 202.4
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