CID 585383

329939-03-9

Structural Information

Molecular Formula
C18H19ClN2O2
SMILES
COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H19ClN2O2/c1-23-17-7-5-14(6-8-17)18(22)21-11-9-20(10-12-21)16-4-2-3-15(19)13-16/h2-8,13H,9-12H2,1H3
InChIKey
XBBCXMACXDIAPT-UHFFFAOYSA-N
Compound name
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

330.1135 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12078 176.8
[M+Na]+ 353.10272 183.3
[M-H]- 329.10622 182.9
[M+NH4]+ 348.14732 188.2
[M+K]+ 369.07666 177.4
[M+H-H2O]+ 313.11076 166.5
[M+HCOO]- 375.11170 189.0
[M+CH3COO]- 389.12735 186.3
[M+Na-2H]- 351.08817 178.4
[M]+ 330.11295 176.0
[M]- 330.11405 176.0
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.