CID 4154146

2-(7-chloro-3-hydroxy-5-nitroquinoxalin-2-yl)-1-(4-chlorophenyl)propan-1-one

Structural Information

Molecular Formula
C17H11Cl2N3O4
SMILES
CC(C1=NC2=C(C(=CC(=C2)Cl)[N+](=O)[O-])NC1=O)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H11Cl2N3O4/c1-8(16(23)9-2-4-10(18)5-3-9)14-17(24)21-15-12(20-14)6-11(19)7-13(15)22(25)26/h2-8H,1H3,(H,21,24)
InChIKey
NWQCIYNXFLQWPC-UHFFFAOYSA-N
Compound name
6-chloro-3-[1-(4-chlorophenyl)-1-oxopropan-2-yl]-8-nitro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.01266 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.01994 181.5
[M+Na]+ 414.00188 189.9
[M-H]- 390.00538 184.7
[M+NH4]+ 409.04648 190.6
[M+K]+ 429.97582 179.4
[M+H-H2O]+ 374.00992 178.2
[M+HCOO]- 436.01086 190.3
[M+CH3COO]- 450.02651 210.8
[M+Na-2H]- 411.98733 185.5
[M]+ 391.01211 184.0
[M]- 391.01321 184.0
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

No patent data available for this compound.