CID 91010

23904-78-1

Structural Information

Molecular Formula
C25H26Cl2N2O
SMILES
C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H26Cl2N2O/c26-22-8-6-21(7-9-22)25(20-4-2-1-3-5-20)30-19-18-28-14-16-29(17-15-28)24-12-10-23(27)11-13-24/h1-13,25H,14-19H2
InChIKey
AKRGMEQOQNVFTK-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1422 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14948 205.0
[M+Na]+ 463.13142 209.5
[M-H]- 439.13492 211.8
[M+NH4]+ 458.17602 211.6
[M+K]+ 479.10536 200.8
[M+H-H2O]+ 423.13946 192.2
[M+HCOO]- 485.14040 210.3
[M+CH3COO]- 499.15605 211.3
[M+Na-2H]- 461.11687 204.2
[M]+ 440.14165 204.7
[M]- 440.14275 204.7
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.