CID 205092

Brn 0571648

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]+ 359.15208 186.2
[M+Na]+ 381.13402 194.0
[M-H]- 357.13752 191.2
[M+NH4]+ 376.17862 200.5
[M+K]+ 397.10796 186.3
[M+H-H2O]+ 341.14206 177.2
[M+HCOO]- 403.14300 194.7
[M+CH3COO]- 417.15865 194.9
[M+Na-2H]- 379.11947 185.5
[M]+ 358.14425 183.2
[M]- 358.14535 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.