CID 3076676

1-(4-chlorophenyl)-3-(4-(diphenylmethyl)-1-piperazinyl)-2-methyl-1-propanone

Structural Information

Molecular Formula
C27H29ClN2O
SMILES
CC(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H29ClN2O/c1-21(27(31)24-12-14-25(28)15-13-24)20-29-16-18-30(19-17-29)26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,21,26H,16-20H2,1H3
InChIKey
UNSONYMFYZIYLM-UHFFFAOYSA-N
Compound name
3-(4-benzhydrylpiperazin-1-yl)-1-(4-chlorophenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.19684 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.20412 205.9
[M+Na]+ 455.18606 207.8
[M-H]- 431.18956 213.2
[M+NH4]+ 450.23066 211.6
[M+K]+ 471.16000 199.9
[M+H-H2O]+ 415.19410 193.0
[M+HCOO]- 477.19504 213.8
[M+CH3COO]- 491.21069 211.7
[M+Na-2H]- 453.17151 203.6
[M]+ 432.19629 202.5
[M]- 432.19739 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.