CID 3047957

Win 23538

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]+ 300.232176 173.6
[M+Na]+ 322.214118 178.5
[M-H]- 298.217624 177.8
[M+NH4]+ 317.258723 185.8
[M+K]+ 338.188058 176.8
[M+H-H2O]+ 282.222160 160.5
[M+HCOO]- 344.223101 185.2
[M+CH3COO]- 358.238751 211.6
[M+Na-2H]- 320.199566 176.4
[M]+ 299.22435142 180.1
[M]- 299.22544858 180.1
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.