CID 3064296

102071-17-0

Structural Information

Molecular Formula
C20H25NO
SMILES
CC1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H25NO/c1-16-15-21(2)14-13-19(16)22-20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3
InChIKey
WLZDZBCIJSHZCN-UHFFFAOYSA-N
Compound name
4-benzhydryloxy-1,3-dimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 172.8
[M+Na]+ 318.182818 176.4
[M-H]- 294.186324 179.7
[M+NH4]+ 313.227423 185.8
[M+K]+ 334.156758 171.8
[M+H-H2O]+ 278.190860 162.6
[M+HCOO]- 340.191801 189.9
[M+CH3COO]- 354.207451 182.3
[M+Na-2H]- 316.168266 174.3
[M]+ 295.19305142 168.8
[M]- 295.19414858 168.8
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.