CID 117800774

N-[(1s,2s)-2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C17H13Cl2F3N2O
SMILES
C1C[C@@H]([C@@H]1C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=C(N=CC=C3)C(F)(F)F
InChI
InChI=1S/C17H13Cl2F3N2O/c18-9-3-4-10(13(19)8-9)11-5-6-14(11)24-16(25)12-2-1-7-23-15(12)17(20,21)22/h1-4,7-8,11,14H,5-6H2,(H,24,25)/t11-,14-/m0/s1
InChIKey
GBFKIHJZPMECCF-FZMZJTMJSA-N
Compound name
N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

314
Patents

388.0357 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.04298 178.8
[M+Na]+ 411.02492 187.5
[M-H]- 387.02842 182.2
[M+NH4]+ 406.06952 184.3
[M+K]+ 426.99886 182.5
[M+H-H2O]+ 371.03296 163.4
[M+HCOO]- 433.03390 185.6
[M+CH3COO]- 447.04955 220.5
[M+Na-2H]- 409.01037 179.3
[M]+ 388.03515 186.0
[M]- 388.03625 186.0
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