CID 3040741

Brn 0867610

Structural Information

Molecular Formula
C27H28F3N3O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC(=O)N(C3=CC=CC=C3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C27H28F3N3O2/c1-35-25-13-6-5-12-24(25)32-18-16-31(17-19-32)15-14-26(34)33(22-9-3-2-4-10-22)23-11-7-8-21(20-23)27(28,29)30/h2-13,20H,14-19H2,1H3
InChIKey
UNAXDPBKLHQIRI-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-phenyl-N-[3-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.21335 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.22063 215.1
[M+Na]+ 506.20257 225.1
[M+NH4]+ 501.24717 218.9
[M+K]+ 522.17651 217.9
[M-H]- 482.20607 217.4
[M+Na-2H]- 504.18802 222.3
[M]+ 483.21280 216.9
[M]- 483.21390 216.9
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

No patent data available for this compound.