CID 129318729

2731709-45-6

Structural Information

Molecular Formula
C17H17F3N2O2
SMILES
CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)OC(C)C)C(F)(F)F
InChI
InChI=1S/C17H17F3N2O2/c1-10(2)24-16(23)12-6-5-9-21-15(12)22-14-8-4-7-13(11(14)3)17(18,19)20/h4-10H,1-3H3,(H,21,22)
InChIKey
JVTKBENZUOTMJR-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1242 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13148 178.8
[M+Na]+ 361.11342 187.9
[M+NH4]+ 356.15802 182.7
[M+K]+ 377.08736 182.9
[M-H]- 337.11692 177.0
[M+Na-2H]- 359.09887 183.3
[M]+ 338.12365 179.3
[M]- 338.12475 179.3
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

No patent data available for this compound.