CID 205090

1,3-indandiol, 2-methyl-2-(4-phenyl-1-piperazinyl)-

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CC1(C(C2=CC=CC=C2C1O)O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H24N2O2/c1-20(18(23)16-9-5-6-10-17(16)19(20)24)22-13-11-21(12-14-22)15-7-3-2-4-8-15/h2-10,18-19,23-24H,11-14H2,1H3
InChIKey
IUBHGUYJQHTDJQ-UHFFFAOYSA-N
Compound name
2-methyl-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

324.18378 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.191056 179.5
[M+Na]+ 347.172998 185.7
[M-H]- 323.176504 184.5
[M+NH4]+ 342.217603 194.0
[M+K]+ 363.146938 179.3
[M+H-H2O]+ 307.181040 170.0
[M+HCOO]- 369.181981 192.6
[M+CH3COO]- 383.197631 188.4
[M+Na-2H]- 345.158446 180.0
[M]+ 324.18323142 173.9
[M]- 324.18432858 173.9
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.