CID 91097

1-(o-chlorophenyl)-4-(2-(alpha-(p-chlorophenyl)benzylamino)ethyl)piperazine dimaleate

Structural Information

Molecular Formula
C25H27Cl2N3
SMILES
C1CN(CCN1CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C25H27Cl2N3/c26-22-12-10-21(11-13-22)25(20-6-2-1-3-7-20)28-14-15-29-16-18-30(19-17-29)24-9-5-4-8-23(24)27/h1-13,25,28H,14-19H2
InChIKey
CJQOJSJEPWJQIW-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-phenylmethyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.1582 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16548 205.4
[M+Na]+ 462.14742 209.2
[M-H]- 438.15092 212.1
[M+NH4]+ 457.19202 211.8
[M+K]+ 478.12136 199.8
[M+H-H2O]+ 422.15546 192.7
[M+HCOO]- 484.15640 211.6
[M+CH3COO]- 498.17205 211.4
[M+Na-2H]- 460.13287 205.3
[M]+ 439.15765 203.3
[M]- 439.15875 203.3
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.