CID 3062153

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

Structural Information

Molecular Formula
C21H24ClF3N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC(=C(C=C3)Cl)C(F)(F)F
InChI
InChI=1S/C21H24ClF3N2O3/c1-28-18-10-14(11-19(29-2)20(18)30-3)13-26-6-8-27(9-7-26)15-4-5-17(22)16(12-15)21(23,24)25/h4-5,10-12H,6-9,13H2,1-3H3
InChIKey
YULDHMXAPUAMJK-UHFFFAOYSA-N
Compound name
1-[4-chloro-3-(trifluoromethyl)phenyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

444.14276 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.15004 204.7
[M+Na]+ 467.13198 212.8
[M-H]- 443.13548 207.3
[M+NH4]+ 462.17658 212.2
[M+K]+ 483.10592 206.4
[M+H-H2O]+ 427.14002 191.4
[M+HCOO]- 489.14096 211.8
[M+CH3COO]- 503.15661 229.6
[M+Na-2H]- 465.11743 202.7
[M]+ 444.14221 205.2
[M]- 444.14331 205.2
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