CID 261584

N-dodecylpyridine-3-carboxamide

Structural Information

Molecular Formula
C18H30N2O
SMILES
CCCCCCCCCCCCNC(=O)C1=CN=CC=C1
InChI
InChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-10-11-15-20-18(21)17-13-12-14-19-16-17/h12-14,16H,2-11,15H2,1H3,(H,20,21)
InChIKey
XVQJYCJZQVBVTL-UHFFFAOYSA-N
Compound name
N-dodecylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

290.2358 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.24308 175.9
[M+Na]+ 313.22502 178.6
[M-H]- 289.22852 176.2
[M+NH4]+ 308.26962 189.6
[M+K]+ 329.19896 174.6
[M+H-H2O]+ 273.23306 167.0
[M+HCOO]- 335.23400 196.6
[M+CH3COO]- 349.24965 207.2
[M+Na-2H]- 311.21047 178.4
[M]+ 290.23525 178.8
[M]- 290.23635 178.8
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