CID 135687096

90182-15-3

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

6
Patents

370.0801 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.087376 180.0
[M+Na]+ 393.069318 187.5
[M-H]- 369.072824 184.7
[M+NH4]+ 388.113923 189.3
[M+K]+ 409.043258 179.8
[M+H-H2O]+ 353.077360 175.4
[M+HCOO]- 415.078301 199.2
[M+CH3COO]- 429.093951 208.1
[M+Na-2H]- 391.054766 185.3
[M]+ 370.07955142 181.9
[M]- 370.08064858 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