CID 49777930

Copper 6-hydroxy-3-(6-hydroxy-4,7-dimethoxy-benzofuran-5-carbonyl)-6,7-dihydropyrimido[1,6-a]pyrimidin-8-one

Structural Information

Molecular Formula
C18H15N3O7
SMILES
COC1=C(C(=C(C2=C1C=CO2)OC)O)C(=O)C3=CN4C(NC(=O)C=C4N=C3)O
InChI
InChI=1S/C18H15N3O7/c1-26-15-9-3-4-28-16(9)17(27-2)14(24)12(15)13(23)8-6-19-10-5-11(22)20-18(25)21(10)7-8/h3-7,18,24-25H,1-2H3,(H,20,22)
InChIKey
XJKFZOCZBYKMJP-UHFFFAOYSA-N
Compound name
6-hydroxy-3-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-carbonyl)-6,7-dihydropyrimido[1,2-c]pyrimidin-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

385.091 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.09828 186.5
[M+Na]+ 408.08022 196.5
[M-H]- 384.08372 189.5
[M+NH4]+ 403.12482 194.5
[M+K]+ 424.05416 193.2
[M+H-H2O]+ 368.08826 177.7
[M+HCOO]- 430.08920 198.9
[M+CH3COO]- 444.10485 215.4
[M+Na-2H]- 406.06567 188.2
[M]+ 385.09045 191.3
[M]- 385.09155 191.3
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.