CID 205092

17334-86-0

Structural Information

Molecular Formula
C20H23ClN2O2
SMILES
CC1(C(C2=CC=CC=C2C1O)O)N3CCN(CC3)C4=CC=CC=C4Cl
InChI
InChI=1S/C20H23ClN2O2/c1-20(18(24)14-6-2-3-7-15(14)19(20)25)23-12-10-22(11-13-23)17-9-5-4-8-16(17)21/h2-9,18-19,24-25H,10-13H2,1H3
InChIKey
FXOJMYLQLVSIFL-UHFFFAOYSA-N
Compound name
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-methyl-1,3-dihydroindene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1448 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.152076 186.2
[M+Na]+ 381.134018 194.0
[M-H]- 357.137524 191.2
[M+NH4]+ 376.178623 200.5
[M+K]+ 397.107958 186.3
[M+H-H2O]+ 341.142060 177.2
[M+HCOO]- 403.143001 194.7
[M+CH3COO]- 417.158651 194.9
[M+Na-2H]- 379.119466 185.5
[M]+ 358.14425142 183.2
[M]- 358.14534858 183.2
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.