CID 165279

(+)-ochotensine

Structural Information

Molecular Formula
C21H21NO4
SMILES
CN1CCC2=CC(=C(C=C2C13CC4=C(C3=C)C=CC5=C4OCO5)OC)O
InChI
InChI=1S/C21H21NO4/c1-12-14-4-5-18-20(26-11-25-18)15(14)10-21(12)16-9-19(24-3)17(23)8-13(16)6-7-22(21)2/h4-5,8-9,23H,1,6-7,10-11H2,2-3H3
InChIKey
MDAWGFZRYVVBAS-UHFFFAOYSA-N
Compound name
7-methoxy-2-methyl-6'-methylidenespiro[3,4-dihydroisoquinoline-1,7'-8H-cyclopenta[g][1,3]benzodioxole]-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

351.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15434 182.1
[M+Na]+ 374.13628 195.2
[M+NH4]+ 369.18088 192.2
[M+K]+ 390.11022 190.5
[M-H]- 350.13978 187.8
[M+Na-2H]- 372.12173 184.0
[M]+ 351.14651 185.8
[M]- 351.14761 185.8
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

patents stripe