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]+ 248.06413 148.8
[M+Na]+ 270.04607 156.0
[M-H]- 246.04957 146.9
[M+NH4]+ 265.09067 163.6
[M+K]+ 286.02001 153.5
[M+H-H2O]+ 230.05411 139.2
[M+HCOO]- 292.05505 167.5
[M+CH3COO]- 306.07070 195.7
[M+Na-2H]- 268.03152 152.5
[M]+ 247.05630 143.0
[M]- 247.05740 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

No patent data available for this compound.