CID 35396728

55198-89-5

Structural Information

Molecular Formula
C15H10ClN3O3
SMILES
C1=CC=C(C(=C1)C2=C(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])N)Cl
InChI
InChI=1S/C15H10ClN3O3/c16-11-4-2-1-3-9(11)13-10-7-8(19(21)22)5-6-12(10)18-15(20)14(13)17/h1-7H,17H2,(H,18,20)
InChIKey
GYAWOVGCEQLWHW-UHFFFAOYSA-N
Compound name
3-amino-4-(2-chlorophenyl)-6-nitro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.04108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.048356 167.3
[M+Na]+ 338.030298 176.5
[M-H]- 314.033804 172.4
[M+NH4]+ 333.074903 180.3
[M+K]+ 354.004238 165.6
[M+H-H2O]+ 298.038340 164.3
[M+HCOO]- 360.039281 185.2
[M+CH3COO]- 374.054931 199.4
[M+Na-2H]- 336.015746 174.2
[M]+ 315.04053142 166.3
[M]- 315.04162858 166.3
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

No patent data available for this compound.