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 175.1
[M+Na]+ 322.21412 179.0
[M-H]- 298.21762 177.9
[M+NH4]+ 317.25872 193.2
[M+K]+ 338.18806 173.8
[M+H-H2O]+ 282.22216 165.1
[M+HCOO]- 344.22310 185.8
[M+CH3COO]- 358.23875 183.6
[M+Na-2H]- 320.19957 178.3
[M]+ 299.22435 170.2
[M]- 299.22545 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