CID 54682

81023-06-5

Structural Information

Molecular Formula
C20H18N2O7
SMILES
COC1=C(C2=C(C=C1)C(OC2=O)N3C4=CC(=C(C=C4C(=O)C=N3)OC)OC)OC
InChI
InChI=1S/C20H18N2O7/c1-25-14-6-5-10-17(18(14)28-4)20(24)29-19(10)22-12-8-16(27-3)15(26-2)7-11(12)13(23)9-21-22/h5-9,19H,1-4H3
InChIKey
QDJGFYUBUMSXLS-UHFFFAOYSA-N
Compound name
1-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6,7-dimethoxycinnolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.1114 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.11868 190.5
[M+Na]+ 421.10062 202.2
[M-H]- 397.10412 198.7
[M+NH4]+ 416.14522 201.8
[M+K]+ 437.07456 200.5
[M+H-H2O]+ 381.10866 181.2
[M+HCOO]- 443.10960 209.1
[M+CH3COO]- 457.12525 224.8
[M+Na-2H]- 419.08607 192.8
[M]+ 398.11085 201.6
[M]- 398.11195 201.6
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.