CID 145913237

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

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC1=CC(=CC=C1)CN2CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C16H16N2O/c1-12-5-4-6-13(9-12)10-18-11-16(19)17-14-7-2-3-8-15(14)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKey
VPCOKAOLGSYXES-UHFFFAOYSA-N
Compound name
4-[(3-methylphenyl)methyl]-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 159.1
[M+Na]+ 275.115488 166.8
[M-H]- 251.118994 162.2
[M+NH4]+ 270.160093 173.7
[M+K]+ 291.089428 160.6
[M+H-H2O]+ 235.123530 149.9
[M+HCOO]- 297.124471 175.8
[M+CH3COO]- 311.140121 169.7
[M+Na-2H]- 273.100936 164.5
[M]+ 252.12572142 155.7
[M]- 252.12681858 155.7
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.