CID 413849

N-(3,4,5-trimethoxybenzyl)-n'-(2-chlorophenyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C20H25ClN2O3
SMILES
COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H25ClN2O3/c1-24-18-12-15(13-19(25-2)20(18)26-3)14-22-8-10-23(11-9-22)17-7-5-4-6-16(17)21/h4-7,12-13H,8-11,14H2,1-3H3
InChIKey
ZMONCZQGFUAONA-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

376.15536 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.162636 190.2
[M+Na]+ 399.144578 197.3
[M-H]- 375.148084 196.4
[M+NH4]+ 394.189183 200.2
[M+K]+ 415.118518 191.9
[M+H-H2O]+ 359.152620 179.3
[M+HCOO]- 421.153561 202.6
[M+CH3COO]- 435.169211 217.7
[M+Na-2H]- 397.130026 190.3
[M]+ 376.15481142 193.6
[M]- 376.15590858 193.6
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

patents stripe