CID 475747

2-amino-5-(3,4,5-trimethoxyphenyl)-3h-furo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C15H15N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=COC3=C2C(=O)NC(=N3)N
InChI
InChI=1S/C15H15N3O5/c1-20-9-4-7(5-10(21-2)12(9)22-3)8-6-23-14-11(8)13(19)17-15(16)18-14/h4-6H,1-3H3,(H3,16,17,18,19)
InChIKey
VCWNSAHPPHMRPT-UHFFFAOYSA-N
Compound name
2-amino-5-(3,4,5-trimethoxyphenyl)-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.10117 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10845 170.3
[M+Na]+ 340.09039 182.5
[M-H]- 316.09389 176.4
[M+NH4]+ 335.13499 183.1
[M+K]+ 356.06433 179.6
[M+H-H2O]+ 300.09843 161.9
[M+HCOO]- 362.09937 192.6
[M+CH3COO]- 376.11502 207.3
[M+Na-2H]- 338.07584 174.6
[M]+ 317.10062 177.7
[M]- 317.10172 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.