CID 210018

20845-60-7

Structural Information

Molecular Formula
C21H24ClNO
SMILES
CN1CCC(CC1)C2CC3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C21H24ClNO/c1-23-12-10-15(11-13-23)20-14-16-4-2-3-5-19(16)21(20,24)17-6-8-18(22)9-7-17/h2-9,15,20,24H,10-14H2,1H3
InChIKey
HIVJZCBYCPLYFE-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-2,3-dihydroinden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.15463 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16191 183.8
[M+Na]+ 364.14385 191.0
[M-H]- 340.14735 191.0
[M+NH4]+ 359.18845 200.7
[M+K]+ 380.11779 183.1
[M+H-H2O]+ 324.15189 175.2
[M+HCOO]- 386.15283 194.7
[M+CH3COO]- 400.16848 193.4
[M+Na-2H]- 362.12930 183.5
[M]+ 341.15408 180.6
[M]- 341.15518 180.6
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.