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 218.0
[M+Na]+ 506.20257 220.5
[M-H]- 482.20607 223.3
[M+NH4]+ 501.24717 221.3
[M+K]+ 522.17651 214.1
[M+H-H2O]+ 466.21061 201.6
[M+HCOO]- 528.21155 229.2
[M+CH3COO]- 542.22720 241.4
[M+Na-2H]- 504.18802 216.6
[M]+ 483.21280 211.9
[M]- 483.21390 211.9
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.