CID 79290789

4-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
C1C(=O)NC2=CC=CC=C2N1C3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN2O/c15-10-5-7-11(8-6-10)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18)
InChIKey
NWDMSJDFXYPVAI-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.056 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 155.9
[M+Na]+ 281.04522 165.3
[M-H]- 257.04872 159.1
[M+NH4]+ 276.08982 171.1
[M+K]+ 297.01916 158.1
[M+H-H2O]+ 241.05326 147.6
[M+HCOO]- 303.05420 168.7
[M+CH3COO]- 317.06985 167.0
[M+Na-2H]- 279.03067 162.0
[M]+ 258.05545 154.0
[M]- 258.05655 154.0
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.