CID 44257445

Ambonane

Structural Information

Molecular Formula
C19H16O5
SMILES
COC1=C(C2=C(C=C1)C3COC4=C(C3O2)C=C5C=COC5=C4)OC
InChI
InChI=1S/C19H16O5/c1-20-14-4-3-11-13-9-23-16-8-15-10(5-6-22-15)7-12(16)17(13)24-18(11)19(14)21-2/h3-8,13,17H,9H2,1-2H3
InChIKey
HHWQSUBEFRHIGU-UHFFFAOYSA-N
Compound name
17,18-dimethoxy-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 168.9
[M+Na]+ 347.08898 180.5
[M-H]- 323.09248 179.4
[M+NH4]+ 342.13358 187.3
[M+K]+ 363.06292 179.9
[M+H-H2O]+ 307.09702 164.4
[M+HCOO]- 369.09796 187.1
[M+CH3COO]- 383.11361 182.6
[M+Na-2H]- 345.07443 174.9
[M]+ 324.09921 178.2
[M]- 324.10031 178.2
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.