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)-3-pyridinyl]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]+ 285.095776 163.8
[M+Na]+ 307.077718 170.5
[M-H]- 283.081224 163.8
[M+NH4]+ 302.122323 171.3
[M+K]+ 323.051658 171.0
[M+H-H2O]+ 267.085760 143.1
[M+HCOO]- 329.086701 176.8
[M+CH3COO]- 343.102351 215.0
[M+Na-2H]- 305.063166 165.9
[M]+ 284.08795142 159.8
[M]- 284.08904858 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