CID 145913179

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

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC1=CC=CC=C1CN2CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C16H16N2O/c1-12-6-2-3-7-13(12)10-18-11-16(19)17-14-8-4-5-9-15(14)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKey
KRZGGMWAXYGAMM-UHFFFAOYSA-N
Compound name
4-[(2-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]+ 253.13355 159.1
[M+Na]+ 275.11549 166.8
[M-H]- 251.11899 162.2
[M+NH4]+ 270.16009 173.7
[M+K]+ 291.08943 160.6
[M+H-H2O]+ 235.12353 149.9
[M+HCOO]- 297.12447 175.8
[M+CH3COO]- 311.14012 169.7
[M+Na-2H]- 273.10094 164.5
[M]+ 252.12572 155.7
[M]- 252.12682 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.