CID 207532

4-amino-n-(2-(4-(3,3-diphenylpropyl)-1-piperazinyl)ethyl)benzamide hydrochloride hydrate

Structural Information

Molecular Formula
C28H34N4O
SMILES
C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)CCNC(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C28H34N4O/c29-26-13-11-25(12-14-26)28(33)30-16-18-32-21-19-31(20-22-32)17-15-27(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14,27H,15-22,29H2,(H,30,33)
InChIKey
BKXVBFJADWMKEC-UHFFFAOYSA-N
Compound name
4-amino-N-[2-[4-(3,3-diphenylpropyl)piperazin-1-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.27325 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.28053 209.7
[M+Na]+ 465.26247 209.0
[M-H]- 441.26597 216.4
[M+NH4]+ 460.30707 213.3
[M+K]+ 481.23641 201.7
[M+H-H2O]+ 425.27051 195.9
[M+HCOO]- 487.27145 224.3
[M+CH3COO]- 501.28710 214.3
[M+Na-2H]- 463.24792 209.2
[M]+ 442.27270 202.5
[M]- 442.27380 202.5
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.