CID 13394790

94593-40-5

Structural Information

Molecular Formula
C22H24F3NO4
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C(C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C22H24F3NO4/c1-4-26(15(2)13-17-9-8-12-19(14-17)22(23,24)25)30-21(28)20(29-16(3)27)18-10-6-5-7-11-18/h5-12,14-15,20H,4,13H2,1-3H3
InChIKey
FLOXHYFIEMMMFD-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2-acetyloxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.16574 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.17302 199.2
[M+Na]+ 446.15496 202.4
[M-H]- 422.15846 202.2
[M+NH4]+ 441.19956 208.6
[M+K]+ 462.12890 200.7
[M+H-H2O]+ 406.16300 187.6
[M+HCOO]- 468.16394 214.8
[M+CH3COO]- 482.17959 231.5
[M+Na-2H]- 444.14041 196.5
[M]+ 423.16519 199.7
[M]- 423.16629 199.7
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.