CID 5486071

63732-37-6

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

0
Patents

299.2249 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 176.5
[M+Na]+ 322.21412 189.3
[M+NH4]+ 317.25872 188.4
[M+K]+ 338.18806 177.7
[M-H]- 298.21762 180.9
[M+Na-2H]- 320.19957 181.4
[M]+ 299.22435 179.8
[M]- 299.22545 179.8
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.