CID 52715

Brn 3016634

Structural Information

Molecular Formula
C20H21ClF3NO3
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C20H21ClF3NO3/c1-14(11-15-3-2-4-16(12-15)20(22,23)24)25-9-10-27-19(26)13-28-18-7-5-17(21)6-8-18/h2-8,12,14,25H,9-11,13H2,1H3
InChIKey
LCDHGYNHIIYKRE-UHFFFAOYSA-N
Compound name
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 2-(4-chlorophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.1162 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.12348 194.1
[M+Na]+ 438.10542 200.1
[M-H]- 414.10892 196.1
[M+NH4]+ 433.15002 204.9
[M+K]+ 454.07936 194.3
[M+H-H2O]+ 398.11346 183.6
[M+HCOO]- 460.11440 207.1
[M+CH3COO]- 474.13005 224.7
[M+Na-2H]- 436.09087 194.2
[M]+ 415.11565 196.2
[M]- 415.11675 196.2
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.