CID 54684064

Brn 0432431

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3N(C2=O)C)O
InChI
InChI=1S/C18H16N2O3/c1-11-7-9-12(10-8-11)19-17(22)15-16(21)13-5-3-4-6-14(13)20(2)18(15)23/h3-10,21H,1-2H3,(H,19,22)
InChIKey
PXCXQJUZLKXSCU-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

308.1161 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 170.7
[M+Na]+ 331.10532 180.2
[M-H]- 307.10882 176.6
[M+NH4]+ 326.14992 184.5
[M+K]+ 347.07926 175.0
[M+H-H2O]+ 291.11336 162.0
[M+HCOO]- 353.11430 191.5
[M+CH3COO]- 367.12995 208.0
[M+Na-2H]- 329.09077 175.1
[M]+ 308.11555 172.0
[M]- 308.11665 172.0
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