CID 53427243

1027-19-6

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 154.3
[M+Na]+ 264.12332 171.1
[M+NH4]+ 259.16792 163.8
[M+K]+ 280.09726 164.1
[M-H]- 240.12682 160.9
[M+Na-2H]- 262.10877 164.6
[M]+ 241.13355 159.1
[M]- 241.13465 159.1
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.