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

11
Patents

376.15536 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16264 190.2
[M+Na]+ 399.14458 197.3
[M-H]- 375.14808 196.4
[M+NH4]+ 394.18918 200.2
[M+K]+ 415.11852 191.9
[M+H-H2O]+ 359.15262 179.3
[M+HCOO]- 421.15356 202.6
[M+CH3COO]- 435.16921 217.7
[M+Na-2H]- 397.13003 190.3
[M]+ 376.15481 193.6
[M]- 376.15591 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