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 214.0
[M+Na]+ 465.26247 226.4
[M+NH4]+ 460.30707 220.4
[M+K]+ 481.23641 217.1
[M-H]- 441.26597 222.2
[M+Na-2H]- 463.24792 223.8
[M]+ 442.27270 218.0
[M]- 442.27380 218.0
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.