CID 14421

1402-68-2

Structural Information

Molecular Formula
C17H12O7
SMILES
COC1=C2C3=C(C(=O)OCC3)C(=O)OC2=C4C5C=COC5OC4=C1
InChI
InChI=1S/C17H12O7/c1-20-9-6-10-12(8-3-5-22-17(8)23-10)14-11(9)7-2-4-21-15(18)13(7)16(19)24-14/h3,5-6,8,17H,2,4H2,1H3
InChIKey
XWIYFDMXXLINPU-UHFFFAOYSA-N
Compound name
11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

7852
References

23255
Patents

328.0583 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06558 165.1
[M+Na]+ 351.04752 176.6
[M-H]- 327.05102 176.0
[M+NH4]+ 346.09212 181.6
[M+K]+ 367.02146 177.7
[M+H-H2O]+ 311.05556 161.8
[M+HCOO]- 373.05650 180.6
[M+CH3COO]- 387.07215 178.7
[M+Na-2H]- 349.03297 170.8
[M]+ 328.05775 173.5
[M]- 328.05885 173.5
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.