CID 118247

N-(2-hydroxypropyl)stearamide

Structural Information

Molecular Formula
C21H43NO2
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC(C)O
InChI
InChI=1S/C21H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)22-19-20(2)23/h20,23H,3-19H2,1-2H3,(H,22,24)
InChIKey
QCTVGFNUKWXQNN-UHFFFAOYSA-N
Compound name
N-(2-hydroxypropyl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3956
Patents

341.32938 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.33666 197.2
[M+Na]+ 364.31860 196.7
[M-H]- 340.32210 193.3
[M+NH4]+ 359.36320 209.7
[M+K]+ 380.29254 192.9
[M+H-H2O]+ 324.32664 189.6
[M+HCOO]- 386.32758 214.2
[M+CH3COO]- 400.34323 218.4
[M+Na-2H]- 362.30405 193.4
[M]+ 341.32883 202.2
[M]- 341.32993 202.2
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