CID 5486066

63732-34-3

Structural Information

Molecular Formula
C20H25NO
SMILES
COC1=CC2=C(C[C@@H]3[C@H]4[C@@]2(CCCC4)CCN3CC#C)C=C1
InChI
InChI=1S/C20H25NO/c1-3-11-21-12-10-20-9-5-4-6-17(20)19(21)13-15-7-8-16(22-2)14-18(15)20/h1,7-8,14,17,19H,4-6,9-13H2,2H3/t17-,19+,20+/m0/s1
InChIKey
JSUCCAYCFQJZBL-DFQSSKMNSA-N
Compound name
(1R,9R,10R)-4-methoxy-17-prop-2-ynyl-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

295.1936 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 177.7
[M+Na]+ 318.18282 190.1
[M+NH4]+ 313.22742 185.3
[M+K]+ 334.15676 176.1
[M-H]- 294.18632 173.5
[M+Na-2H]- 316.16827 179.2
[M]+ 295.19305 177.7
[M]- 295.19415 177.7
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.