CID 2841522

36932-43-1

Structural Information

Molecular Formula
C17H17N3O2
SMILES
C1=CC=C(C=C1)CNC(=O)CC2C(=O)NC3=CC=CC=C3N2
InChI
InChI=1S/C17H17N3O2/c21-16(18-11-12-6-2-1-3-7-12)10-15-17(22)20-14-9-5-4-8-13(14)19-15/h1-9,15,19H,10-11H2,(H,18,21)(H,20,22)
InChIKey
KDLAOUYNKLLIJE-UHFFFAOYSA-N
Compound name
N-benzyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10
Patents

295.13208 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13936 168.1
[M+Na]+ 318.12130 173.0
[M-H]- 294.12480 169.4
[M+NH4]+ 313.16590 179.3
[M+K]+ 334.09524 166.4
[M+H-H2O]+ 278.12934 158.7
[M+HCOO]- 340.13028 183.5
[M+CH3COO]- 354.14593 176.6
[M+Na-2H]- 316.10675 173.1
[M]+ 295.13153 162.3
[M]- 295.13263 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe