CID 60615

1-butanone, 4-(4-(diphenylmethyl)-1-piperazinyl)-1-phenyl-, dihydrochloride

Structural Information

Molecular Formula
C27H30N2O
SMILES
C1CN(CCN1CCCC(=O)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H30N2O/c30-26(23-11-4-1-5-12-23)17-10-18-28-19-21-29(22-20-28)27(24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-9,11-16,27H,10,17-22H2
InChIKey
QIKPSGOPKMQNMM-UHFFFAOYSA-N
Compound name
4-(4-benzhydrylpiperazin-1-yl)-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

398.2358 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24308 202.3
[M+Na]+ 421.22502 217.4
[M+NH4]+ 416.26962 210.1
[M+K]+ 437.19896 207.1
[M-H]- 397.22852 210.3
[M+Na-2H]- 419.21047 213.7
[M]+ 398.23525 206.9
[M]- 398.23635 206.9
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

patents stripe