CID 210004

20814-68-0

Structural Information

Molecular Formula
C21H25NO
SMILES
C=CCN1CCCC(C1C(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H25NO/c1-2-15-22-16-9-14-19(23)21(22)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h2-8,10-13,19-21,23H,1,9,14-16H2
InChIKey
UWOOUHOCAYKOFE-UHFFFAOYSA-N
Compound name
2-benzhydryl-1-prop-2-enylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.200876 176.3
[M+Na]+ 330.182818 179.3
[M-H]- 306.186324 181.6
[M+NH4]+ 325.227423 188.0
[M+K]+ 346.156758 173.1
[M+H-H2O]+ 290.190860 166.4
[M+HCOO]- 352.191801 191.7
[M+CH3COO]- 366.207451 184.8
[M+Na-2H]- 328.168266 176.9
[M]+ 307.19305142 170.2
[M]- 307.19414858 170.2
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.