CID 5486071

Dtxsid40980211

Structural Information

Molecular Formula
C20H29NO
SMILES
CCCOC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3C)C=C1
InChI
InChI=1S/C20H29NO/c1-3-12-22-16-8-7-15-13-19-17-6-4-5-9-20(17,18(15)14-16)10-11-21(19)2/h7-8,14,17,19H,3-6,9-13H2,1-2H3/t17-,19+,20+/m0/s1
InChIKey
HYUMMNYOVCWNFQ-DFQSSKMNSA-N
Compound name
(1R,9R,10R)-17-methyl-4-propoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.2249 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.232176 175.1
[M+Na]+ 322.214118 179.0
[M-H]- 298.217624 177.9
[M+NH4]+ 317.258723 193.2
[M+K]+ 338.188058 173.8
[M+H-H2O]+ 282.222160 165.1
[M+HCOO]- 344.223101 185.8
[M+CH3COO]- 358.238751 183.6
[M+Na-2H]- 320.199566 178.3
[M]+ 299.22435142 170.2
[M]- 299.22544858 170.2
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

patents stripe