CID 5260112

9-o-methylneodunol

Structural Information

Molecular Formula
C18H14O4
SMILES
COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=C5C=COC5=C4
InChI
InChI=1S/C18H14O4/c1-19-11-2-3-12-14-9-21-16-8-15-10(4-5-20-15)6-13(16)18(14)22-17(12)7-11/h2-8,14,18H,9H2,1H3
InChIKey
ULQNMSRMOWJVNK-UHFFFAOYSA-N
Compound name
17-methoxy-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

294.0892 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 160.5
[M+Na]+ 317.07842 172.0
[M-H]- 293.08192 170.8
[M+NH4]+ 312.12302 179.9
[M+K]+ 333.05236 170.9
[M+H-H2O]+ 277.08646 156.1
[M+HCOO]- 339.08740 179.0
[M+CH3COO]- 353.10305 174.5
[M+Na-2H]- 315.06387 167.5
[M]+ 294.08865 167.7
[M]- 294.08975 167.7
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.