CID 135611748

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

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

34
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

literature stripe

Patent stripe

patents stripe