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 185.0
[M+Na]+ 381.13402 199.3
[M+NH4]+ 376.17862 194.8
[M+K]+ 397.10796 190.9
[M-H]- 357.13752 189.9
[M+Na-2H]- 379.11947 192.5
[M]+ 358.14425 188.9
[M]- 358.14535 188.9
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.