CID 210019

1-indanol, 3-(1-methyl-4-piperidyl)-1-phenyl-

Structural Information

Molecular Formula
C21H25NO
SMILES
CN1CCC(CC1)C2CC(C3=CC=CC=C23)(C4=CC=CC=C4)O
InChI
InChI=1S/C21H25NO/c1-22-13-11-16(12-14-22)19-15-21(23,17-7-3-2-4-8-17)20-10-6-5-9-18(19)20/h2-10,16,19,23H,11-15H2,1H3
InChIKey
ZEJXPRFYMYOYPS-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-4-yl)-1-phenyl-2,3-dihydroinden-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.1936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 176.2
[M+Na]+ 330.182818 181.7
[M-H]- 306.186324 183.4
[M+NH4]+ 325.227423 193.3
[M+K]+ 346.156758 175.3
[M+H-H2O]+ 290.190860 167.0
[M+HCOO]- 352.191801 191.7
[M+CH3COO]- 366.207451 185.9
[M+Na-2H]- 328.168266 177.1
[M]+ 307.19305142 170.3
[M]- 307.19414858 170.3
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

patents stripe