CID 79291156

1500670-27-8

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC1=CC=C(C=C1)N2CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C15H14N2O/c1-11-6-8-12(9-7-11)17-10-15(18)16-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3,(H,16,18)
InChIKey
OZGXPODXVXTGOE-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

238.11061 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 154.5
[M+Na]+ 261.099828 162.7
[M-H]- 237.103334 157.9
[M+NH4]+ 256.144433 169.7
[M+K]+ 277.073768 156.8
[M+H-H2O]+ 221.107870 145.6
[M+HCOO]- 283.108811 171.6
[M+CH3COO]- 297.124461 165.6
[M+Na-2H]- 259.085276 160.6
[M]+ 238.11006142 150.8
[M]- 238.11115858 150.8
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

patents stripe