CID 135687108

4-hydroxy-6-(1-methylethyl)-3-(4-nitrobenzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C19H16N2O5
SMILES
CC(C)C1=CC2=C(C=C1)NC(=O)C(=C2O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16N2O5/c1-10(2)12-5-8-15-14(9-12)18(23)16(19(24)20-15)17(22)11-3-6-13(7-4-11)21(25)26/h3-10H,1-2H3,(H2,20,23,24)
InChIKey
RDQHVSRVUBYKRW-UHFFFAOYSA-N
Compound name
4-hydroxy-3-(4-nitrobenzoyl)-6-propan-2-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

352.10593 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11321 178.2
[M+Na]+ 375.09515 184.7
[M-H]- 351.09865 182.4
[M+NH4]+ 370.13975 188.2
[M+K]+ 391.06909 175.8
[M+H-H2O]+ 335.10319 174.0
[M+HCOO]- 397.10413 195.8
[M+CH3COO]- 411.11978 206.0
[M+Na-2H]- 373.08060 182.0
[M]+ 352.10538 176.7
[M]- 352.10648 176.7
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