CID 135548088

2(1h)-quinolinone, 4-hydroxy-1-methyl-3-[(3-nitrophenyl)azo]-

Structural Information

Molecular Formula
C16H12N4O4
SMILES
CN1C2=CC=CC=C2C(=C(C1=O)N=NC3=CC(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H12N4O4/c1-19-13-8-3-2-7-12(13)15(21)14(16(19)22)18-17-10-5-4-6-11(9-10)20(23)24/h2-9,21H,1H3
InChIKey
XXSLVBDPACXUDO-UHFFFAOYSA-N
Compound name
4-hydroxy-1-methyl-3-[(3-nitrophenyl)diazenyl]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

573
Patents

324.08585 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.09313 169.5
[M+Na]+ 347.07507 177.7
[M-H]- 323.07857 178.0
[M+NH4]+ 342.11967 182.3
[M+K]+ 363.04901 170.0
[M+H-H2O]+ 307.08311 164.0
[M+HCOO]- 369.08405 196.4
[M+CH3COO]- 383.09970 210.0
[M+Na-2H]- 345.06052 179.2
[M]+ 324.08530 170.6
[M]- 324.08640 170.6
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