CID 91065

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

Structural Information

Molecular Formula
C26H30ClN3
SMILES
C1CN(CCN1CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C26H30ClN3/c27-25-13-11-24(12-14-25)26(23-9-5-2-6-10-23)28-15-16-29-17-19-30(20-18-29)21-22-7-3-1-4-8-22/h1-14,26,28H,15-21H2
InChIKey
OHHAHCYJVRBXCV-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)-phenylmethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.21283 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22011 207.7
[M+Na]+ 442.20205 223.8
[M+NH4]+ 437.24665 216.4
[M+K]+ 458.17599 211.9
[M-H]- 418.20555 216.9
[M+Na-2H]- 440.18750 219.4
[M]+ 419.21228 213.1
[M]- 419.21338 213.1
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.