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]+ 316.04836 167.3
[M+Na]+ 338.03030 176.5
[M-H]- 314.03380 172.4
[M+NH4]+ 333.07490 180.3
[M+K]+ 354.00424 165.6
[M+H-H2O]+ 298.03834 164.3
[M+HCOO]- 360.03928 185.2
[M+CH3COO]- 374.05493 199.4
[M+Na-2H]- 336.01575 174.2
[M]+ 315.04053 166.3
[M]- 315.04163 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.