CID 3111828

40375-97-1

Structural Information

Molecular Formula
C16H14ClN3O2
SMILES
C1=CC=C2C(=C1)NC(C(=O)N2)CC(=O)NC3=CC=CC=C3Cl
InChI
InChI=1S/C16H14ClN3O2/c17-10-5-1-2-6-11(10)19-15(21)9-14-16(22)20-13-8-4-3-7-12(13)18-14/h1-8,14,18H,9H2,(H,19,21)(H,20,22)
InChIKey
IUWBBRSCFMRHLX-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

315.07745 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08473 170.1
[M+Na]+ 338.06667 177.1
[M-H]- 314.07017 171.8
[M+NH4]+ 333.11127 181.8
[M+K]+ 354.04061 169.4
[M+H-H2O]+ 298.07471 161.7
[M+HCOO]- 360.07565 181.2
[M+CH3COO]- 374.09130 179.0
[M+Na-2H]- 336.05212 174.3
[M]+ 315.07690 166.7
[M]- 315.07800 166.7
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

No patent data available for this compound.