CID 3078117

2,6-dimethyl-alpha-(((6,7,8,9-tetrahydro-2-dibenzofuranyl)oxy)methyl)-1-piperidineethanol hcl

Structural Information

Molecular Formula
C22H31NO3
SMILES
CC1CCCC(N1CC(COC2=CC3=C(C=C2)OC4=C3CCCC4)O)C
InChI
InChI=1S/C22H31NO3/c1-15-6-5-7-16(2)23(15)13-17(24)14-25-18-10-11-22-20(12-18)19-8-3-4-9-21(19)26-22/h10-12,15-17,24H,3-9,13-14H2,1-2H3
InChIKey
KQACWWFBSADAEF-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylpiperidin-1-yl)-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.237676 188.1
[M+Na]+ 380.219618 192.4
[M-H]- 356.223124 193.2
[M+NH4]+ 375.264223 201.2
[M+K]+ 396.193558 188.4
[M+H-H2O]+ 340.227660 179.6
[M+HCOO]- 402.228601 199.8
[M+CH3COO]- 416.244251 196.5
[M+Na-2H]- 378.205066 187.1
[M]+ 357.22985142 186.8
[M]- 357.23094858 186.8
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.