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]+ 296.20088 172.8
[M+Na]+ 318.18282 176.4
[M-H]- 294.18632 179.7
[M+NH4]+ 313.22742 185.8
[M+K]+ 334.15676 171.8
[M+H-H2O]+ 278.19086 162.6
[M+HCOO]- 340.19180 189.9
[M+CH3COO]- 354.20745 182.3
[M+Na-2H]- 316.16827 174.3
[M]+ 295.19305 168.8
[M]- 295.19415 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.