CID 216806

Brn 0902582

Structural Information

Molecular Formula
C29H26N2O2
SMILES
C1CN(CCN1CC#CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C29H26N2O2/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,17-22H2
InChIKey
ZXUBAZCNKGQDSN-UHFFFAOYSA-N
Compound name
2-phenyl-2-[4-(4-phenylpiperazin-1-yl)but-2-ynyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.19943 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.20671 211.9
[M+Na]+ 457.18865 226.5
[M+NH4]+ 452.23325 217.2
[M+K]+ 473.16259 212.7
[M-H]- 433.19215 210.6
[M+Na-2H]- 455.17410 217.7
[M]+ 434.19888 213.1
[M]- 434.19998 213.1
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.