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]+ 308.20088 176.3
[M+Na]+ 330.18282 179.3
[M-H]- 306.18632 181.6
[M+NH4]+ 325.22742 188.0
[M+K]+ 346.15676 173.1
[M+H-H2O]+ 290.19086 166.4
[M+HCOO]- 352.19180 191.7
[M+CH3COO]- 366.20745 184.8
[M+Na-2H]- 328.16827 176.9
[M]+ 307.19305 170.2
[M]- 307.19415 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.