CID 72329

Melosmine

Structural Information

Molecular Formula
C20H19NO4
SMILES
CC1(C2=C(C=CC(=C2)O)C3=C(C(=C(C4=C3C1=NC=C4)OC)OC)O)C
InChI
InChI=1S/C20H19NO4/c1-20(2)13-9-10(22)5-6-11(13)14-15-12(7-8-21-19(15)20)17(24-3)18(25-4)16(14)23/h5-9,22-23H,1-4H3
InChIKey
CUEIWVZJOPCMPT-UHFFFAOYSA-N
Compound name
14,15-dimethoxy-8,8-dimethyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

98
Patents

337.1314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 180.8
[M+Na]+ 360.12062 192.1
[M-H]- 336.12412 183.6
[M+NH4]+ 355.16522 197.9
[M+K]+ 376.09456 187.2
[M+H-H2O]+ 320.12866 172.4
[M+HCOO]- 382.12960 195.3
[M+CH3COO]- 396.14525 191.5
[M+Na-2H]- 358.10607 187.1
[M]+ 337.13085 186.7
[M]- 337.13195 186.7
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

patents stripe