CID 121336

Mecambrine

Structural Information

Molecular Formula
C18H17NO3
SMILES
CN1CCC2=CC3=C(C4=C2[C@@H]1CC45C=CC(=O)C=C5)OCO3
InChI
InChI=1S/C18H17NO3/c1-19-7-4-11-8-14-17(22-10-21-14)16-15(11)13(19)9-18(16)5-2-12(20)3-6-18/h2-3,5-6,8,13H,4,7,9-10H2,1H3/t13-/m0/s1
InChIKey
NMVDXQMYKKNYFO-ZDUSSCGKSA-N
Compound name
(12S)-11-methylspiro[3,5-dioxa-11-azatetracyclo[6.6.1.02,6.012,15]pentadeca-1(15),2(6),7-triene-14,4'-cyclohexa-2,5-diene]-1'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.12085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12813 166.2
[M+Na]+ 318.11007 179.3
[M+NH4]+ 313.15467 177.6
[M+K]+ 334.08401 174.2
[M-H]- 294.11357 172.1
[M+Na-2H]- 316.09552 168.9
[M]+ 295.12030 170.0
[M]- 295.12140 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.