CID 209648

20071-86-7

Structural Information

Molecular Formula
C21H25NO2
SMILES
CC(=O)OC1CCCN(C1C(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C21H25NO2/c1-16(23)24-19-14-9-15-22(2)21(19)20(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19-21H,9,14-15H2,1-2H3
InChIKey
BZVCWLQBZHCBHC-UHFFFAOYSA-N
Compound name
(2-benzhydryl-1-methylpiperidin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

323.18854 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 179.4
[M+Na]+ 346.17776 182.5
[M-H]- 322.18126 186.3
[M+NH4]+ 341.22236 191.1
[M+K]+ 362.15170 178.4
[M+H-H2O]+ 306.18580 169.1
[M+HCOO]- 368.18674 195.6
[M+CH3COO]- 382.20239 209.1
[M+Na-2H]- 344.16321 179.3
[M]+ 323.18799 175.9
[M]- 323.18909 175.9
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