CID 13394782

N-((2-chlorobenzoyl)oxy)-n-ethyl-alpha-methyl-3-(trifluoromethyl)benzeneethanamine

Structural Information

Molecular Formula
C19H19ClF3NO2
SMILES
CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C19H19ClF3NO2/c1-3-24(26-18(25)16-9-4-5-10-17(16)20)13(2)11-14-7-6-8-15(12-14)19(21,22)23/h4-10,12-13H,3,11H2,1-2H3
InChIKey
NAMXCXWWXANXNW-UHFFFAOYSA-N
Compound name
[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.10565 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11293 186.6
[M+Na]+ 408.09487 196.0
[M+NH4]+ 403.13947 191.4
[M+K]+ 424.06881 190.0
[M-H]- 384.09837 185.7
[M+Na-2H]- 406.08032 191.6
[M]+ 385.10510 187.7
[M]- 385.10620 187.7
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.