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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.