CID 233682

6323-09-7

Structural Information

Molecular Formula
C23H30Cl2N4
SMILES
C1CN(CCN1CCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C23H30Cl2N4/c24-20-4-1-6-22(18-20)28-14-10-26(11-15-28)8-3-9-27-12-16-29(17-13-27)23-7-2-5-21(25)19-23/h1-2,4-7,18-19H,3,8-17H2
InChIKey
WWXDTRQIBDUJET-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

432.18475 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.192026 206.8
[M+Na]+ 455.173968 210.2
[M-H]- 431.177474 210.0
[M+NH4]+ 450.218573 210.9
[M+K]+ 471.147908 200.9
[M+H-H2O]+ 415.182010 191.7
[M+HCOO]- 477.182951 206.2
[M+CH3COO]- 491.198601 211.1
[M+Na-2H]- 453.159416 204.0
[M]+ 432.18420142 201.5
[M]- 432.18529858 201.5
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

patents stripe