CID 115944

63978-29-0

Structural Information

Molecular Formula
C19H23ClN2O2
SMILES
COC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C19H23ClN2O2/c1-23-18-8-7-15(13-19(18)24-2)14-21-9-11-22(12-10-21)17-6-4-3-5-16(17)20/h3-8,13H,9-12,14H2,1-2H3
InChIKey
JJWUQWDXGHKVRM-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

346.1448 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15208 182.8
[M+Na]+ 369.13402 189.6
[M-H]- 345.13752 188.8
[M+NH4]+ 364.17862 193.9
[M+K]+ 385.10796 183.7
[M+H-H2O]+ 329.14206 172.1
[M+HCOO]- 391.14300 195.4
[M+CH3COO]- 405.15865 211.5
[M+Na-2H]- 367.11947 184.1
[M]+ 346.14425 184.0
[M]- 346.14535 184.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.