CID 208235

Brn 0586980

Structural Information

Molecular Formula
C28H32N2O2
SMILES
C1CN(CCN1CCCC2(C(C3=CC=CC=C3C2O)O)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H32N2O2/c31-26-24-14-7-8-15-25(24)27(32)28(26,22-10-3-1-4-11-22)16-9-17-29-18-20-30(21-19-29)23-12-5-2-6-13-23/h1-8,10-15,26-27,31-32H,9,16-21H2
InChIKey
ZRWPPRCZHNCLCO-UHFFFAOYSA-N
Compound name
2-phenyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.24637 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25365 208.0
[M+Na]+ 451.23559 211.6
[M-H]- 427.23909 214.9
[M+NH4]+ 446.28019 217.2
[M+K]+ 467.20953 203.2
[M+H-H2O]+ 411.24363 195.6
[M+HCOO]- 473.24457 219.4
[M+CH3COO]- 487.26022 214.0
[M+Na-2H]- 449.22104 206.3
[M]+ 428.24582 202.1
[M]- 428.24692 202.1
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.