CID 53427243

Pyridinium, 5-benzamido-1,2,4-trimethyl-, iodide

Structural Information

Molecular Formula
C15H17N2O
SMILES
CC1=CC(=[N+](C=C1NC(=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C15H16N2O/c1-11-9-12(2)17(3)10-14(11)16-15(18)13-7-5-4-6-8-13/h4-10H,1-3H3/p+1
InChIKey
HPDWJMSCHRPVTM-UHFFFAOYSA-O
Compound name
N-(1,4,6-trimethylpyridin-1-ium-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1341 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14138 156.9
[M+Na]+ 264.12332 164.9
[M-H]- 240.12682 163.1
[M+NH4]+ 259.16792 172.9
[M+K]+ 280.09726 155.5
[M+H-H2O]+ 224.13136 151.5
[M+HCOO]- 286.13230 179.8
[M+CH3COO]- 300.14795 190.4
[M+Na-2H]- 262.10877 163.8
[M]+ 241.13355 156.1
[M]- 241.13465 156.1
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.