CID 121422673

1950587-17-3

Structural Information

Molecular Formula
C12H11F3N4O
SMILES
C1CC(C1)(C(=O)NC2=CC(=C(N=C2)C#N)C(F)(F)F)N
InChI
InChI=1S/C12H11F3N4O/c13-12(14,15)8-4-7(6-18-9(8)5-16)19-10(20)11(17)2-1-3-11/h4,6H,1-3,17H2,(H,19,20)
InChIKey
TVOWJVSSBFMCFC-UHFFFAOYSA-N
Compound name
1-amino-N-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]cyclobutane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

284.0885 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09578 163.8
[M+Na]+ 307.07772 170.5
[M-H]- 283.08122 163.8
[M+NH4]+ 302.12232 171.3
[M+K]+ 323.05166 171.0
[M+H-H2O]+ 267.08576 143.1
[M+HCOO]- 329.08670 176.8
[M+CH3COO]- 343.10235 215.0
[M+Na-2H]- 305.06317 165.9
[M]+ 284.08795 159.8
[M]- 284.08905 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe