CID 210024

20845-64-1

Structural Information

Molecular Formula
C21H22ClN
SMILES
CN1CCC(CC1)C2=C(C3=CC=CC=C3C2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H22ClN/c1-23-12-10-15(11-13-23)20-14-17-4-2-3-5-19(17)21(20)16-6-8-18(22)9-7-16/h2-9,15H,10-14H2,1H3
InChIKey
GSCUOQIDXSUSPE-UHFFFAOYSA-N
Compound name
4-[3-(4-chlorophenyl)-1H-inden-2-yl]-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.14407 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15135 179.7
[M+Na]+ 346.13329 187.4
[M-H]- 322.13679 188.1
[M+NH4]+ 341.17789 196.0
[M+K]+ 362.10723 179.3
[M+H-H2O]+ 306.14133 170.5
[M+HCOO]- 368.14227 193.2
[M+CH3COO]- 382.15792 190.1
[M+Na-2H]- 344.11874 179.5
[M]+ 323.14352 177.9
[M]- 323.14462 177.9
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.