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]+ 358.097336 182.5
[M+Na]+ 380.079278 190.1
[M-H]- 356.082784 183.0
[M+NH4]+ 375.123883 185.9
[M+K]+ 396.053218 187.1
[M+H-H2O]+ 340.087320 163.0
[M+HCOO]- 402.088261 194.8
[M+CH3COO]- 416.103911 218.2
[M+Na-2H]- 378.064726 182.4
[M]+ 357.08951142 183.5
[M]- 357.09060858 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