CID 3050701

Ethanone, 2-(4-(diphenylmethyl)-1-piperazinyl)-1-(2,4,6-trimethoxyphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C28H32N2O4
SMILES
COC1=CC(=C(C(=C1)OC)C(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C28H32N2O4/c1-32-23-18-25(33-2)27(26(19-23)34-3)24(31)20-29-14-16-30(17-15-29)28(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,18-19,28H,14-17,20H2,1-3H3
InChIKey
TYGLVHGTYWAJIN-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)-1-(2,4,6-trimethoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.2362 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.24348 215.0
[M+Na]+ 483.22542 229.4
[M+NH4]+ 478.27002 220.8
[M+K]+ 499.19936 221.2
[M-H]- 459.22892 221.7
[M+Na-2H]- 481.21087 224.1
[M]+ 460.23565 219.0
[M]- 460.23675 219.0
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.