CID 135687111

4-hydroxy-7-nitro-3-(2,3,4-trimethoxybenzoyl)-2(1h)-quinolinone

Structural Information

Molecular Formula
C19H16N2O8
SMILES
COC1=C(C(=C(C=C1)C(=O)C2=C(C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)OC)OC
InChI
InChI=1S/C19H16N2O8/c1-27-13-7-6-11(17(28-2)18(13)29-3)16(23)14-15(22)10-5-4-9(21(25)26)8-12(10)20-19(14)24/h4-8H,1-3H3,(H2,20,22,24)
InChIKey
PQBBVQQOGHPSTQ-UHFFFAOYSA-N
Compound name
4-hydroxy-7-nitro-3-(2,3,4-trimethoxybenzoyl)-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

400.09067 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.09795 187.3
[M+Na]+ 423.07989 194.7
[M-H]- 399.08339 192.1
[M+NH4]+ 418.12449 195.5
[M+K]+ 439.05383 187.9
[M+H-H2O]+ 383.08793 182.4
[M+HCOO]- 445.08887 206.1
[M+CH3COO]- 459.10452 214.7
[M+Na-2H]- 421.06534 191.7
[M]+ 400.09012 191.2
[M]- 400.09122 191.2
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