CID 52731

Brn 3017970

Structural Information

Molecular Formula
C20H19F6NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C20H19F6NO2/c1-13(10-14-4-2-6-16(11-14)19(21,22)23)27-8-9-29-18(28)15-5-3-7-17(12-15)20(24,25)26/h2-7,11-13,27H,8-10H2,1H3
InChIKey
IAWLTECJJNYDJN-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3-(trifluoromethyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.132 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.13928 194.9
[M+Na]+ 442.12122 200.9
[M-H]- 418.12472 193.3
[M+NH4]+ 437.16582 204.5
[M+K]+ 458.09516 195.6
[M+H-H2O]+ 402.12926 181.6
[M+HCOO]- 464.13020 207.1
[M+CH3COO]- 478.14585 227.2
[M+Na-2H]- 440.10667 194.3
[M]+ 419.13145 188.6
[M]- 419.13255 188.6
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.