CID 145913166

4-[(3-chlorophenyl)methyl]-1,2,3,4-tetrahydroquinoxalin-2-one

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C1C(=O)NC2=CC=CC=C2N1CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C15H13ClN2O/c16-12-5-3-4-11(8-12)9-18-10-15(19)17-13-6-1-2-7-14(13)18/h1-8H,9-10H2,(H,17,19)
InChIKey
JOEMGXUJHMREFW-UHFFFAOYSA-N
Compound name
4-[(3-chlorophenyl)methyl]-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.07166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 160.6
[M+Na]+ 295.06088 177.1
[M+NH4]+ 290.10548 169.7
[M+K]+ 311.03482 167.8
[M-H]- 271.06438 164.8
[M+Na-2H]- 293.04633 169.0
[M]+ 272.07111 164.5
[M]- 272.07221 164.5
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.