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]+ 320.20088 179.0
[M+Na]+ 342.18282 185.2
[M-H]- 318.18632 187.6
[M+NH4]+ 337.22742 194.5
[M+K]+ 358.15676 179.1
[M+H-H2O]+ 302.19086 169.3
[M+HCOO]- 364.19180 197.0
[M+CH3COO]- 378.20745 189.3
[M+Na-2H]- 340.16827 179.0
[M]+ 319.19305 176.6
[M]- 319.19415 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.