CID 129318713

2732347-70-3

Structural Information

Molecular Formula
C16H15F3N2O2
SMILES
CC(C)OC(=O)C1=C(N=CC=C1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C16H15F3N2O2/c1-10(2)23-15(22)13-7-4-8-20-14(13)21-12-6-3-5-11(9-12)16(17,18)19/h3-10H,1-2H3,(H,20,21)
InChIKey
DZTKLIXFPPENPX-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.10855 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11583 172.1
[M+Na]+ 347.09777 179.1
[M-H]- 323.10127 173.6
[M+NH4]+ 342.14237 184.3
[M+K]+ 363.07171 175.2
[M+H-H2O]+ 307.10581 160.9
[M+HCOO]- 369.10675 189.3
[M+CH3COO]- 383.12240 210.0
[M+Na-2H]- 345.08322 174.7
[M]+ 324.10800 169.3
[M]- 324.10910 169.3
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.