CID 77945

Quarpel

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

330
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 201.1
[M+Na]+ 398.32674 211.8
[M+NH4]+ 393.37134 207.6
[M+K]+ 414.30068 202.5
[M-H]- 374.33024 204.1
[M+Na-2H]- 396.31219 205.2
[M]+ 375.33697 203.6
[M]- 375.33807 203.6
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