CID 2859150

5660-61-7

Structural Information

Molecular Formula
C17H14F3N3O2
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CC2C(=O)NC3=CC=CC=C3N2
InChI
InChI=1S/C17H14F3N3O2/c18-17(19,20)10-5-1-2-6-11(10)22-15(24)9-14-16(25)23-13-8-4-3-7-12(13)21-14/h1-8,14,21H,9H2,(H,22,24)(H,23,25)
InChIKey
UFRCUEDAJYXRRL-UHFFFAOYSA-N
Compound name
2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

349.10382 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.11110 178.7
[M+Na]+ 372.09304 185.2
[M-H]- 348.09654 176.6
[M+NH4]+ 367.13764 188.0
[M+K]+ 388.06698 177.8
[M+H-H2O]+ 332.10108 167.3
[M+HCOO]- 394.10202 189.2
[M+CH3COO]- 408.11767 209.1
[M+Na-2H]- 370.07849 181.9
[M]+ 349.10327 169.5
[M]- 349.10437 169.5
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.