CID 154856871

2694734-91-1

Structural Information

Molecular Formula
C17H24Cl2N2O
SMILES
CC(C)CC1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CCl
InChI
InChI=1S/C17H24Cl2N2O/c1-13(2)8-16-12-21(17(22)10-18)7-6-20(16)11-14-4-3-5-15(19)9-14/h3-5,9,13,16H,6-8,10-12H2,1-2H3
InChIKey
RXNNWOBJWBKPHT-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12656 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13384 179.0
[M+Na]+ 365.11578 184.8
[M-H]- 341.11928 180.9
[M+NH4]+ 360.16038 191.0
[M+K]+ 381.08972 178.5
[M+H-H2O]+ 325.12382 170.7
[M+HCOO]- 387.12476 184.1
[M+CH3COO]- 401.14041 210.9
[M+Na-2H]- 363.10123 176.9
[M]+ 342.12601 179.6
[M]- 342.12711 179.6
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.