CID 3039721

1h-indene-1,3(2h)-dione, 2-phenyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-, sulfate (1:1)

Structural Information

Molecular Formula
C29H30N2O2
SMILES
C1CN(CCN1CCCCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H30N2O2/c32-27-25-15-7-8-16-26(25)28(33)29(27,23-11-3-1-4-12-23)17-9-10-18-30-19-21-31(22-20-30)24-13-5-2-6-14-24/h1-8,11-16H,9-10,17-22H2
InChIKey
IKLLJIZJZDSIBU-UHFFFAOYSA-N
Compound name
2-phenyl-2-[4-(4-phenylpiperazin-1-yl)butyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.23074 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.23802 212.5
[M+Na]+ 461.21996 227.7
[M+NH4]+ 456.26456 221.7
[M+K]+ 477.19390 216.6
[M-H]- 437.22346 220.2
[M+Na-2H]- 459.20541 222.5
[M]+ 438.23019 217.1
[M]- 438.23129 217.1
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.