CID 210022

20845-63-0

Structural Information

Molecular Formula
C22H25NO
SMILES
CN1CCC(CC1)C2=C(C3=CC=CC=C3C2)C4=CC=C(C=C4)OC
InChI
InChI=1S/C22H25NO/c1-23-13-11-16(12-14-23)21-15-18-5-3-4-6-20(18)22(21)17-7-9-19(24-2)10-8-17/h3-10,16H,11-15H2,1-2H3
InChIKey
JCBZNVDZSNFFQT-UHFFFAOYSA-N
Compound name
4-[3-(4-methoxyphenyl)-1H-inden-2-yl]-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.200876 179.0
[M+Na]+ 342.182818 185.2
[M-H]- 318.186324 187.6
[M+NH4]+ 337.227423 194.5
[M+K]+ 358.156758 179.1
[M+H-H2O]+ 302.190860 169.3
[M+HCOO]- 364.191801 197.0
[M+CH3COO]- 378.207451 189.3
[M+Na-2H]- 340.168266 179.0
[M]+ 319.19305142 176.6
[M]- 319.19414858 176.6
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.