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]+ 367.162796 185.7
[M+Na]+ 389.144738 190.5
[M-H]- 365.148244 187.3
[M+NH4]+ 384.189343 196.9
[M+K]+ 405.118678 185.9
[M+H-H2O]+ 349.152780 174.5
[M+HCOO]- 411.153721 203.5
[M+CH3COO]- 425.169371 220.8
[M+Na-2H]- 387.130186 185.9
[M]+ 366.15497142 181.7
[M]- 366.15606858 181.7
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.