CID 129858634

Trans-4-(2-(4-(2,3-dichlorophenyl)piperazine-1-yl)-ethyl)-n,n-dimethylcarbamoyl-cyclohexyl-amine hydrochloride

Structural Information

Molecular Formula
C21H32Cl2N4O
SMILES
CN(C)C(=O)NC1CCCC(C1)CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-6-3-5-16(15-17)9-10-26-11-13-27(14-12-26)19-8-4-7-18(22)20(19)23/h4,7-8,16-17H,3,5-6,9-15H2,1-2H3,(H,24,28)
InChIKey
CJZHFIVLEVCLHP-UHFFFAOYSA-N
Compound name
3-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

231
References

0
Patents

426.1953 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.20258 202.0
[M+Na]+ 449.18452 213.2
[M+NH4]+ 444.22912 209.2
[M+K]+ 465.15846 204.8
[M-H]- 425.18802 207.6
[M+Na-2H]- 447.16997 207.6
[M]+ 426.19475 205.5
[M]- 426.19585 205.5
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.