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]+ 358.23768 188.1
[M+Na]+ 380.21962 192.4
[M-H]- 356.22312 193.2
[M+NH4]+ 375.26422 201.2
[M+K]+ 396.19356 188.4
[M+H-H2O]+ 340.22766 179.6
[M+HCOO]- 402.22860 199.8
[M+CH3COO]- 416.24425 196.5
[M+Na-2H]- 378.20507 187.1
[M]+ 357.22985 186.8
[M]- 357.23095 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.