CID 52720

Brn 3009667

Structural Information

Molecular Formula
C19H20F3NO3
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C19H20F3NO3/c1-13(11-14-5-4-6-15(12-14)19(20,21)22)23-9-10-26-18(25)16-7-2-3-8-17(16)24/h2-8,12-13,23-24H,9-11H2,1H3
InChIKey
ADDMJGWNANWTRJ-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.13953 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14681 184.6
[M+Na]+ 390.12875 189.7
[M-H]- 366.13225 185.5
[M+NH4]+ 385.17335 195.6
[M+K]+ 406.10269 185.2
[M+H-H2O]+ 350.13679 173.9
[M+HCOO]- 412.13773 200.8
[M+CH3COO]- 426.15338 215.9
[M+Na-2H]- 388.11420 185.1
[M]+ 367.13898 181.9
[M]- 367.14008 181.9
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