CID 3076670

1-propanone, 3-(4-(diphenylmethyl)-1-piperazinyl)-2-methyl-1-phenyl-

Structural Information

Molecular Formula
C27H30N2O
SMILES
CC(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H30N2O/c1-22(27(30)25-15-9-4-10-16-25)21-28-17-19-29(20-18-28)26(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-16,22,26H,17-21H2,1H3
InChIKey
ZTZNVNODMYCIAW-UHFFFAOYSA-N
Compound name
3-(4-benzhydrylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2358 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24308 199.9
[M+Na]+ 421.22502 200.0
[M-H]- 397.22852 207.0
[M+NH4]+ 416.26962 205.6
[M+K]+ 437.19896 193.5
[M+H-H2O]+ 381.23306 186.5
[M+HCOO]- 443.23400 212.3
[M+CH3COO]- 457.24965 205.6
[M+Na-2H]- 419.21047 198.7
[M]+ 398.23525 193.4
[M]- 398.23635 193.4
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.