CID 135687109

4-hydroxy-6,8-dimethyl-3-(4-nitrobenzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C18H14N2O5
SMILES
CC1=CC(=C2C(=C1)C(=C(C(=O)N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)C
InChI
InChI=1S/C18H14N2O5/c1-9-7-10(2)15-13(8-9)17(22)14(18(23)19-15)16(21)11-3-5-12(6-4-11)20(24)25/h3-8H,1-2H3,(H2,19,22,23)
InChIKey
XXQPTAGEACZFKL-UHFFFAOYSA-N
Compound name
4-hydroxy-6,8-dimethyl-3-(4-nitrobenzoyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.09027 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09755 174.8
[M+Na]+ 361.07949 190.4
[M+NH4]+ 356.12409 180.9
[M+K]+ 377.05343 187.0
[M-H]- 337.08299 178.8
[M+Na-2H]- 359.06494 180.8
[M]+ 338.08972 178.0
[M]- 338.09082 178.0
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