CID 560484

1-(2,3'-dichlorobenzhydryl)-4-(3-hydroxypropyl)piperazine maleate

Structural Information

Molecular Formula
C20H24Cl2N2O
SMILES
C1CN(CCN1CCCO)C(C2=CC(=CC=C2)Cl)C3=CC=CC=C3Cl
InChI
InChI=1S/C20H24Cl2N2O/c21-17-6-3-5-16(15-17)20(18-7-1-2-8-19(18)22)24-12-10-23(11-13-24)9-4-14-25/h1-3,5-8,15,20,25H,4,9-14H2
InChIKey
YYRPFOIZMKFAON-UHFFFAOYSA-N
Compound name
3-[4-[(2-chlorophenyl)-(3-chlorophenyl)methyl]piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.12656 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13384 188.0
[M+Na]+ 401.11578 193.1
[M-H]- 377.11928 191.2
[M+NH4]+ 396.16038 197.2
[M+K]+ 417.08972 185.0
[M+H-H2O]+ 361.12382 177.9
[M+HCOO]- 423.12476 192.5
[M+CH3COO]- 437.14041 195.2
[M+Na-2H]- 399.10123 187.3
[M]+ 378.12601 186.7
[M]- 378.12711 186.7
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.