CID 210800

Brn 0855912

Structural Information

Molecular Formula
C27H26N2O2
SMILES
C1CN(CCN1CCC2(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C27H26N2O2/c30-25-23-13-7-8-14-24(23)26(31)27(25,21-9-3-1-4-10-21)15-16-28-17-19-29(20-18-28)22-11-5-2-6-12-22/h1-14H,15-20H2
InChIKey
IKORCBCOANHNMJ-UHFFFAOYSA-N
Compound name
2-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.19943 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20671 203.5
[M+Na]+ 433.18865 209.0
[M-H]- 409.19215 213.2
[M+NH4]+ 428.23325 214.5
[M+K]+ 449.16259 201.1
[M+H-H2O]+ 393.19669 190.4
[M+HCOO]- 455.19763 218.5
[M+CH3COO]- 469.21328 211.2
[M+Na-2H]- 431.17410 202.7
[M]+ 410.19888 199.2
[M]- 410.19998 199.2
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.