CID 3062159

Piperazine, 1-(3,5-bis(trifluoromethyl)phenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H24F6N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C22H24F6N2O3/c1-31-18-8-14(9-19(32-2)20(18)33-3)13-29-4-6-30(7-5-29)17-11-15(21(23,24)25)10-16(12-17)22(26,27)28/h8-12H,4-7,13H2,1-3H3
InChIKey
JOGGQYQUYDFUHO-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

478.1691 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.17638 215.3
[M+Na]+ 501.15832 222.9
[M-H]- 477.16182 214.3
[M+NH4]+ 496.20292 220.3
[M+K]+ 517.13226 216.9
[M+H-H2O]+ 461.16636 199.3
[M+HCOO]- 523.16730 221.7
[M+CH3COO]- 537.18295 237.0
[M+Na-2H]- 499.14377 212.3
[M]+ 478.16855 209.5
[M]- 478.16965 209.5
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