CID 205094

17334-89-3

Structural Information

Molecular Formula
C25H26N2O2
SMILES
C1CN(CCN1C2=CC=CC=C2)C3(C(C4=CC=CC=C4C3O)O)C5=CC=CC=C5
InChI
InChI=1S/C25H26N2O2/c28-23-21-13-7-8-14-22(21)24(29)25(23,19-9-3-1-4-10-19)27-17-15-26(16-18-27)20-11-5-2-6-12-20/h1-14,23-24,28-29H,15-18H2
InChIKey
PWBLYALQEYMSCW-UHFFFAOYSA-N
Compound name
2-phenyl-2-(4-phenylpiperazin-1-yl)-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20671 195.5
[M+Na]+ 409.18865 200.6
[M-H]- 385.19215 203.1
[M+NH4]+ 404.23325 206.5
[M+K]+ 425.16259 192.8
[M+H-H2O]+ 369.19669 183.8
[M+HCOO]- 431.19763 208.0
[M+CH3COO]- 445.21328 202.9
[M+Na-2H]- 407.17410 195.4
[M]+ 386.19888 188.8
[M]- 386.19998 188.8
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.