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 203.6
[M+Na]+ 442.20205 205.6
[M-H]- 418.20555 210.6
[M+NH4]+ 437.24665 209.8
[M+K]+ 458.17599 196.6
[M+H-H2O]+ 402.21009 190.2
[M+HCOO]- 464.21103 214.4
[M+CH3COO]- 478.22668 209.5
[M+Na-2H]- 440.18750 204.5
[M]+ 419.21228 199.6
[M]- 419.21338 199.6
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.