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]+ 433.19203 206.8
[M+Na]+ 455.17397 210.2
[M-H]- 431.17747 210.0
[M+NH4]+ 450.21857 210.9
[M+K]+ 471.14791 200.9
[M+H-H2O]+ 415.18201 191.7
[M+HCOO]- 477.18295 206.2
[M+CH3COO]- 491.19860 211.1
[M+Na-2H]- 453.15942 204.0
[M]+ 432.18420 201.5
[M]- 432.18530 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