CID 135687096

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

Structural Information

Molecular Formula
C18H14N2O7
SMILES
COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)OC
InChI
InChI=1S/C18H14N2O7/c1-26-13-6-3-9(7-14(13)27-2)16(21)15-17(22)11-5-4-10(20(24)25)8-12(11)19-18(15)23/h3-8H,1-2H3,(H2,19,22,23)
InChIKey
QZJDBXUFHQTRKG-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxybenzoyl)-4-hydroxy-7-nitro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

370.0801 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.08738 180.0
[M+Na]+ 393.06932 187.5
[M-H]- 369.07282 184.7
[M+NH4]+ 388.11392 189.3
[M+K]+ 409.04326 179.8
[M+H-H2O]+ 353.07736 175.4
[M+HCOO]- 415.07830 199.2
[M+CH3COO]- 429.09395 208.1
[M+Na-2H]- 391.05477 185.3
[M]+ 370.07955 181.9
[M]- 370.08065 181.9
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