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]+ 300.23218 174.8
[M+Na]+ 322.21412 179.3
[M-H]- 298.21762 177.7
[M+NH4]+ 317.25872 186.4
[M+K]+ 338.18806 176.8
[M+H-H2O]+ 282.22216 162.0
[M+HCOO]- 344.22310 184.9
[M+CH3COO]- 358.23875 183.2
[M+Na-2H]- 320.19957 177.2
[M]+ 299.22435 179.7
[M]- 299.22545 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.