CID 76965321

N-(4-trifluoromethylnicotinoyl)glycinamide

Structural Information

Molecular Formula
C9H8F3N3O2
SMILES
C1=CN=CC(=C1C(F)(F)F)C(=O)NCC(=O)N
InChI
InChI=1S/C9H8F3N3O2/c10-9(11,12)6-1-2-14-3-5(6)8(17)15-4-7(13)16/h1-3H,4H2,(H2,13,16)(H,15,17)
InChIKey
FZAQQBPOTJCLJM-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

247.05685 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.064126 148.8
[M+Na]+ 270.046068 156.0
[M-H]- 246.049574 146.9
[M+NH4]+ 265.090673 163.6
[M+K]+ 286.020008 153.5
[M+H-H2O]+ 230.054110 139.2
[M+HCOO]- 292.055051 167.5
[M+CH3COO]- 306.070701 195.7
[M+Na-2H]- 268.031516 152.5
[M]+ 247.05630142 143.0
[M]- 247.05739858 143.0
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