CID 12758285

4-methyl-3-pyridin-1-ium-1-yl-1h-quinolin-2-one

Structural Information

Molecular Formula
C15H13N2O
SMILES
CC1=C(C(=O)NC2=CC=CC=C12)[N+]3=CC=CC=C3
InChI
InChI=1S/C15H12N2O/c1-11-12-7-3-4-8-13(12)16-15(18)14(11)17-9-5-2-6-10-17/h2-10H,1H3/p+1
InChIKey
IUJRXJZMPCORHT-UHFFFAOYSA-O
Compound name
4-methyl-3-pyridin-1-ium-1-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10278 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11006 155.0
[M+Na]+ 260.09200 164.9
[M-H]- 236.09550 159.4
[M+NH4]+ 255.13660 170.1
[M+K]+ 276.06594 153.1
[M+H-H2O]+ 220.10004 148.8
[M+HCOO]- 282.10098 174.5
[M+CH3COO]- 296.11663 183.6
[M+Na-2H]- 258.07745 165.2
[M]+ 237.10223 152.9
[M]- 237.10333 152.9
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.