CID 205253

Piperazine, 1-(o-chlorobenzoyl)-4-(o-chlorobenzyl)-, hydrochloride

Structural Information

Molecular Formula
C18H18Cl2N2O
SMILES
C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C18H18Cl2N2O/c19-16-7-3-1-5-14(16)13-21-9-11-22(12-10-21)18(23)15-6-2-4-8-17(15)20/h1-8H,9-13H2
InChIKey
XTDSQGZTUNWGHR-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.07962 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.08690 179.2
[M+Na]+ 371.06884 186.0
[M-H]- 347.07234 184.2
[M+NH4]+ 366.11344 190.3
[M+K]+ 387.04278 178.5
[M+H-H2O]+ 331.07688 169.2
[M+HCOO]- 393.07782 186.0
[M+CH3COO]- 407.09347 187.9
[M+Na-2H]- 369.05429 179.8
[M]+ 348.07907 178.3
[M]- 348.08017 178.3
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.