CID 145915537

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

Structural Information

Molecular Formula
C16H16N2O2
SMILES
COC1=CC=CC=C1CN2CC(=O)NC3=CC=CC=C32
InChI
InChI=1S/C16H16N2O2/c1-20-15-9-5-2-6-12(15)10-18-11-16(19)17-13-7-3-4-8-14(13)18/h2-9H,10-11H2,1H3,(H,17,19)
InChIKey
CRQJWHKCZDRDDF-UHFFFAOYSA-N
Compound name
4-[(2-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1212 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.12848 162.2
[M+Na]+ 291.11042 169.7
[M-H]- 267.11392 165.3
[M+NH4]+ 286.15502 176.0
[M+K]+ 307.08436 164.2
[M+H-H2O]+ 251.11846 152.8
[M+HCOO]- 313.11940 179.1
[M+CH3COO]- 327.13505 172.6
[M+Na-2H]- 289.09587 167.7
[M]+ 268.12065 160.2
[M]- 268.12175 160.2
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.