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 200.5
[M+Na]+ 421.22502 200.9
[M-H]- 397.22852 207.4
[M+NH4]+ 416.26962 206.3
[M+K]+ 437.19896 193.8
[M+H-H2O]+ 381.23306 186.8
[M+HCOO]- 443.23400 213.8
[M+CH3COO]- 457.24965 206.3
[M+Na-2H]- 419.21047 200.3
[M]+ 398.23525 194.5
[M]- 398.23635 194.5
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

patents stripe