CID 11198769

N-benzylpalmitamide

Structural Information

Molecular Formula
C23H39NO
SMILES
CCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1
InChI
InChI=1S/C23H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)24-21-22-18-15-14-16-19-22/h14-16,18-19H,2-13,17,20-21H2,1H3,(H,24,25)
InChIKey
MLGPKWUKOQAAGI-UHFFFAOYSA-N
Compound name
N-benzylhexadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

78
Patents

345.30316 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.31044 194.5
[M+Na]+ 368.29238 195.0
[M-H]- 344.29588 195.3
[M+NH4]+ 363.33698 207.3
[M+K]+ 384.26632 189.9
[M+H-H2O]+ 328.30042 185.6
[M+HCOO]- 390.30136 214.8
[M+CH3COO]- 404.31701 219.6
[M+Na-2H]- 366.27783 194.1
[M]+ 345.30261 198.7
[M]- 345.30371 198.7
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