CID 13591219

Cor 2839

Structural Information

Molecular Formula
C23H29F3N2O2
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C23H29F3N2O2/c1-16(2)20-15-21(29)17(3)13-22(20)30-12-11-27-7-9-28(10-8-27)19-6-4-5-18(14-19)23(24,25)26/h4-6,13-16,29H,7-12H2,1-3H3
InChIKey
WOVLANZMRRXELT-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-yl-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

422.2181 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.22538 205.0
[M+Na]+ 445.20732 210.1
[M-H]- 421.21082 205.8
[M+NH4]+ 440.25192 211.5
[M+K]+ 461.18126 203.7
[M+H-H2O]+ 405.21536 191.6
[M+HCOO]- 467.21630 213.4
[M+CH3COO]- 481.23195 227.2
[M+Na-2H]- 443.19277 201.4
[M]+ 422.21755 199.6
[M]- 422.21865 199.6
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.