CID 220495

N-benzylstearamide

Structural Information

Molecular Formula
C25H43NO
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,26,27)
InChIKey
IXODJGLAVBPVSW-UHFFFAOYSA-N
Compound name
N-benzyloctadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

78
Patents

373.33447 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.34175 203.3
[M+Na]+ 396.32369 203.0
[M-H]- 372.32719 203.7
[M+NH4]+ 391.36829 214.9
[M+K]+ 412.29763 197.4
[M+H-H2O]+ 356.33173 194.0
[M+HCOO]- 418.33267 222.9
[M+CH3COO]- 432.34832 225.5
[M+Na-2H]- 394.30914 201.8
[M]+ 373.33392 208.2
[M]- 373.33502 208.2
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