CID 145913163

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

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
C1C(=O)NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H13ClN2O/c16-12-7-5-11(6-8-12)9-18-10-15(19)17-13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,17,19)
InChIKey
BJVVHWZUHYEQML-UHFFFAOYSA-N
Compound name
4-[(4-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 160.5
[M+Na]+ 295.06088 169.3
[M-H]- 271.06438 163.4
[M+NH4]+ 290.10548 175.1
[M+K]+ 311.03482 161.9
[M+H-H2O]+ 255.06892 151.9
[M+HCOO]- 317.06986 172.9
[M+CH3COO]- 331.08551 171.1
[M+Na-2H]- 293.04633 165.9
[M]+ 272.07111 158.8
[M]- 272.07221 158.8
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.