CID 408529

63906-11-6

Structural Information

Molecular Formula
C20H35N2O
SMILES
CCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N
InChI
InChI=1S/C20H34N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-17-14-15-19(18-22)20(21)23/h14-15,17-18H,2-13,16H2,1H3,(H-,21,23)/p+1
InChIKey
RGZKWBAIYSCILT-UHFFFAOYSA-O
Compound name
1-tetradecylpyridin-1-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.27493 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.28221 186.4
[M+Na]+ 342.26415 189.1
[M-H]- 318.26765 186.5
[M+NH4]+ 337.30875 198.7
[M+K]+ 358.23809 178.8
[M+H-H2O]+ 302.27219 180.3
[M+HCOO]- 364.27313 205.5
[M+CH3COO]- 378.28878 207.5
[M+Na-2H]- 340.24960 188.4
[M]+ 319.27438 188.3
[M]- 319.27548 188.3
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

patents stripe