CID 52711

Brn 3008936

Structural Information

Molecular Formula
C19H21F3N2O2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C19H21F3N2O2/c1-13(11-14-3-2-4-16(12-14)19(20,21)22)24-9-10-26-18(25)15-5-7-17(23)8-6-15/h2-8,12-13,24H,9-11,23H2,1H3
InChIKey
SMYGIAQVNIHGQU-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15552 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.16280 185.2
[M+Na]+ 389.14474 192.4
[M+NH4]+ 384.18934 188.9
[M+K]+ 405.11868 187.2
[M-H]- 365.14824 184.1
[M+Na-2H]- 387.13019 189.2
[M]+ 366.15497 185.4
[M]- 366.15607 185.4
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.