CID 3047957

63869-47-6

Structural Information

Molecular Formula
C20H29NO
SMILES
CC1C2CC3=C(C1(CCN2CC4CCC4)C)C=C(C=C3)OC
InChI
InChI=1S/C20H29NO/c1-14-19-11-16-7-8-17(22-3)12-18(16)20(14,2)9-10-21(19)13-15-5-4-6-15/h7-8,12,14-15,19H,4-6,9-11,13H2,1-3H3
InChIKey
JCWFROZXHUXCRM-UHFFFAOYSA-N
Compound name
10-(cyclobutylmethyl)-4-methoxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2249 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.23218 173.5
[M+Na]+ 322.21412 182.0
[M+NH4]+ 317.25872 181.0
[M+K]+ 338.18806 173.1
[M-H]- 298.21762 174.9
[M+Na-2H]- 320.19957 175.9
[M]+ 299.22435 174.2
[M]- 299.22545 174.2
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

No patent data available for this compound.