CID 3115589

36932-41-9

Structural Information

Molecular Formula
C17H17N3O2
SMILES
CC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2
InChI
InChI=1S/C17H17N3O2/c1-11-6-8-12(9-7-11)18-16(21)10-15-17(22)20-14-5-3-2-4-13(14)19-15/h2-9,15,19H,10H2,1H3,(H,18,21)(H,20,22)
InChIKey
MCQNIEJDSDQIDA-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.13208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 169.0
[M+Na]+ 318.12130 174.9
[M-H]- 294.12480 170.8
[M+NH4]+ 313.16590 180.6
[M+K]+ 334.09524 168.4
[M+H-H2O]+ 278.12934 159.9
[M+HCOO]- 340.13028 184.4
[M+CH3COO]- 354.14593 177.9
[M+Na-2H]- 316.10675 173.2
[M]+ 295.13153 163.7
[M]- 295.13263 163.7
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.