CID 459514

N-hexadecylnicotinamide

Structural Information

Molecular Formula
C22H38N2O
SMILES
CCCCCCCCCCCCCCCCNC(=O)C1=CN=CC=C1
InChI
InChI=1S/C22H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24-22(25)21-17-16-18-23-20-21/h16-18,20H,2-15,19H2,1H3,(H,24,25)
InChIKey
UQVGEBKEKXJAKD-UHFFFAOYSA-N
Compound name
N-hexadecylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

346.2984 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.30568 193.6
[M+Na]+ 369.28762 194.5
[M-H]- 345.29112 193.1
[M+NH4]+ 364.33222 205.0
[M+K]+ 385.26156 189.5
[M+H-H2O]+ 329.29566 183.8
[M+HCOO]- 391.29660 212.9
[M+CH3COO]- 405.31225 219.1
[M+Na-2H]- 367.27307 193.9
[M]+ 346.29785 197.9
[M]- 346.29895 197.9
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