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]+ 331.15718 178.9
[M+Na]+ 353.13912 183.6
[M-H]- 329.14262 184.1
[M+NH4]+ 348.18372 189.9
[M+K]+ 369.11306 177.4
[M+H-H2O]+ 313.14716 168.0
[M+HCOO]- 375.14810 190.2
[M+CH3COO]- 389.16375 187.5
[M+Na-2H]- 351.12457 180.5
[M]+ 330.14935 177.3
[M]- 330.15045 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.