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

10
Patents

308.1161 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.123376 170.7
[M+Na]+ 331.105318 180.2
[M-H]- 307.108824 176.6
[M+NH4]+ 326.149923 184.5
[M+K]+ 347.079258 175.0
[M+H-H2O]+ 291.113360 162.0
[M+HCOO]- 353.114301 191.5
[M+CH3COO]- 367.129951 208.0
[M+Na-2H]- 329.090766 175.1
[M]+ 308.11555142 172.0
[M]- 308.11664858 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