CID 203024

13694-49-0

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
COC(CN1CCN(CC1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H23ClN2O/c1-23-19(16-5-3-2-4-6-16)15-21-11-13-22(14-12-21)18-9-7-17(20)8-10-18/h2-10,19H,11-15H2,1H3
InChIKey
WBXVMKYZZYGDAW-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-(2-methoxy-2-phenylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1499 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.157176 178.9
[M+Na]+ 353.139118 183.6
[M-H]- 329.142624 184.1
[M+NH4]+ 348.183723 189.9
[M+K]+ 369.113058 177.4
[M+H-H2O]+ 313.147160 168.0
[M+HCOO]- 375.148101 190.2
[M+CH3COO]- 389.163751 187.5
[M+Na-2H]- 351.124566 180.5
[M]+ 330.14935142 177.3
[M]- 330.15044858 177.3
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

No patent data available for this compound.