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]+ 399.118676 190.5
[M+Na]+ 421.100618 202.2
[M-H]- 397.104124 198.7
[M+NH4]+ 416.145223 201.8
[M+K]+ 437.074558 200.5
[M+H-H2O]+ 381.108660 181.2
[M+HCOO]- 443.109601 209.1
[M+CH3COO]- 457.125251 224.8
[M+Na-2H]- 419.086066 192.8
[M]+ 398.11085142 201.6
[M]- 398.11194858 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.