CID 4988454

41332-24-5

Structural Information

Molecular Formula
C32H32N2O
SMILES
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2
InChIKey
VCPMZDWBEWTGNW-UHFFFAOYSA-N
Compound name
1-(4-benzhydrylpiperazin-1-yl)-3,3-diphenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

173
Patents

460.25146 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.25874 215.4
[M+Na]+ 483.24068 214.3
[M-H]- 459.24418 224.6
[M+NH4]+ 478.28528 217.6
[M+K]+ 499.21462 206.3
[M+H-H2O]+ 443.24872 200.2
[M+HCOO]- 505.24966 226.8
[M+CH3COO]- 519.26531 219.5
[M+Na-2H]- 481.22613 213.8
[M]+ 460.25091 207.3
[M]- 460.25201 207.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe