CID 52719

Brn 3008937

Structural Information

Molecular Formula
C19H19F4NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H19F4NO2/c1-13(11-14-3-2-4-16(12-14)19(21,22)23)24-9-10-26-18(25)15-5-7-17(20)8-6-15/h2-8,12-13,24H,9-11H2,1H3
InChIKey
UOTXTGKRAINGSD-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.1352 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14248 184.8
[M+Na]+ 392.12442 190.6
[M-H]- 368.12792 185.7
[M+NH4]+ 387.16902 196.4
[M+K]+ 408.09836 185.7
[M+H-H2O]+ 352.13246 172.9
[M+HCOO]- 414.13340 201.1
[M+CH3COO]- 428.14905 219.0
[M+Na-2H]- 390.10987 184.9
[M]+ 369.13465 181.3
[M]- 369.13575 181.3
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

patents stripe