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 214.7
[M+Na]+ 483.22542 216.8
[M-H]- 459.22892 222.8
[M+NH4]+ 478.27002 218.6
[M+K]+ 499.19936 212.1
[M+H-H2O]+ 443.23346 200.8
[M+HCOO]- 505.23440 228.2
[M+CH3COO]- 519.25005 235.5
[M+Na-2H]- 481.21087 212.1
[M]+ 460.23565 214.5
[M]- 460.23675 214.5
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.