CID 141631636

N-[(1s,2s)-2-(2,4-difluorophenyl)cyclobutyl]-3-(trifluoromethyl)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C16H12F5N3O
SMILES
C1C[C@@H]([C@@H]1C2=C(C=C(C=C2)F)F)NC(=O)C3=NC=CN=C3C(F)(F)F
InChI
InChI=1S/C16H12F5N3O/c17-8-1-2-9(11(18)7-8)10-3-4-12(10)24-15(25)13-14(16(19,20)21)23-6-5-22-13/h1-2,5-7,10,12H,3-4H2,(H,24,25)/t10-,12-/m0/s1
InChIKey
SPFPIXBHWSCFCM-JQWIXIFHSA-N
Compound name
N-[(1S,2S)-2-(2,4-difluorophenyl)cyclobutyl]-3-(trifluoromethyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

357.09006 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.09734 182.5
[M+Na]+ 380.07928 190.1
[M-H]- 356.08278 183.0
[M+NH4]+ 375.12388 185.9
[M+K]+ 396.05322 187.1
[M+H-H2O]+ 340.08732 163.0
[M+HCOO]- 402.08826 194.8
[M+CH3COO]- 416.10391 218.2
[M+Na-2H]- 378.06473 182.4
[M]+ 357.08951 183.5
[M]- 357.09061 183.5
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