CID 35936

10-(4-phenyl-1-piperazinyl)-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-11-one

Structural Information

Molecular Formula
C25H24N2O
SMILES
C1CN(CCN1C2C3=CC=CC=C3CC4=CC=CC=C4C2=O)C5=CC=CC=C5
InChI
InChI=1S/C25H24N2O/c28-25-23-13-7-5-9-20(23)18-19-8-4-6-12-22(19)24(25)27-16-14-26(15-17-27)21-10-2-1-3-11-21/h1-13,24H,14-18H2
InChIKey
YKZOQCJGDXQSMN-UHFFFAOYSA-N
Compound name
10-(4-phenylpiperazin-1-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18887 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19615 193.6
[M+Na]+ 391.17809 198.7
[M-H]- 367.18159 201.8
[M+NH4]+ 386.22269 203.6
[M+K]+ 407.15203 194.7
[M+H-H2O]+ 351.18613 182.9
[M+HCOO]- 413.18707 206.4
[M+CH3COO]- 427.20272 201.2
[M+Na-2H]- 389.16354 196.2
[M]+ 368.18832 185.7
[M]- 368.18942 185.7
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.