CID 11234952

660414-56-2

Structural Information

Molecular Formula
C24H24F3NO
SMILES
CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3
InChI
InChI=1S/C24H24F3NO/c1-28(18-19-8-4-2-5-9-19)17-16-23(20-10-6-3-7-11-20)29-22-14-12-21(13-15-22)24(25,26)27/h2-15,23H,16-18H2,1H3
InChIKey
FSXSEGYVGKNUIN-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

399.181 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.18828 197.0
[M+Na]+ 422.17022 200.9
[M-H]- 398.17372 202.6
[M+NH4]+ 417.21482 207.1
[M+K]+ 438.14416 195.4
[M+H-H2O]+ 382.17826 183.7
[M+HCOO]- 444.17920 214.8
[M+CH3COO]- 458.19485 227.5
[M+Na-2H]- 420.15567 198.4
[M]+ 399.18045 194.5
[M]- 399.18155 194.5
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