CID 3047963

63869-51-2

Structural Information

Molecular Formula
C20H29NO
SMILES
CCC12CCN(C(C1)C(C3=C2C=C(C=C3)O)C)CC4CCC4
InChI
InChI=1S/C20H29NO/c1-3-20-9-10-21(13-15-5-4-6-15)19(12-20)14(2)17-8-7-16(22)11-18(17)20/h7-8,11,14-15,19,22H,3-6,9-10,12-13H2,1-2H3
InChIKey
DRFWDMNJYNIQQB-UHFFFAOYSA-N
Compound name
10-(cyclobutylmethyl)-1-ethyl-8-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.232176 174.8
[M+Na]+ 322.214118 179.3
[M-H]- 298.217624 177.7
[M+NH4]+ 317.258723 186.4
[M+K]+ 338.188058 176.8
[M+H-H2O]+ 282.222160 162.0
[M+HCOO]- 344.223101 184.9
[M+CH3COO]- 358.238751 183.2
[M+Na-2H]- 320.199566 177.2
[M]+ 299.22435142 179.7
[M]- 299.22544858 179.7
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.