CID 135687107

4-hydroxy-3-(4-nitrobenzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C16H10N2O5
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H10N2O5/c19-14(9-5-7-10(8-6-9)18(22)23)13-15(20)11-3-1-2-4-12(11)17-16(13)21/h1-8H,(H2,17,20,21)
InChIKey
RJLAQNKPADLNMS-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(4-nitrobenzoyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

310.05896 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06624 165.2
[M+Na]+ 333.04818 180.5
[M+NH4]+ 328.09278 171.6
[M+K]+ 349.02212 177.2
[M-H]- 309.05168 169.1
[M+Na-2H]- 331.03363 172.2
[M]+ 310.05841 168.2
[M]- 310.05951 168.2
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