CID 77945

Pyridinium, 1-(((1-oxooctadecyl)amino)methyl)-, chloride

Structural Information

Molecular Formula
C24H43N2O
SMILES
CCCCCCCCCCCCCCCCCC(=O)NC[N+]1=CC=CC=C1
InChI
InChI=1S/C24H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-24(27)25-23-26-21-18-16-19-22-26/h16,18-19,21-22H,2-15,17,20,23H2,1H3/p+1
InChIKey
NVUBFYYOVIBBBL-UHFFFAOYSA-O
Compound name
N-(pyridin-1-ium-1-ylmethyl)octadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

391
Patents

375.33752 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.34480 204.5
[M+Na]+ 398.32674 204.5
[M-H]- 374.33024 203.9
[M+NH4]+ 393.37134 214.5
[M+K]+ 414.30068 193.6
[M+H-H2O]+ 358.33478 197.2
[M+HCOO]- 420.33572 222.8
[M+CH3COO]- 434.35137 218.3
[M+Na-2H]- 396.31219 206.0
[M]+ 375.33697 208.3
[M]- 375.33807 208.3
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