CID 475757

2-amino-5-(3,4,5-trimethoxyphenyl)-5,6-dihydro-3h-furo[2,3-d]pyrimidin-4-one

Structural Information

Molecular Formula
C15H17N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2COC3=C2C(=O)NC(=N3)N
InChI
InChI=1S/C15H17N3O5/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/h4-5,8H,6H2,1-3H3,(H3,16,17,18,19)
InChIKey
AGFSRYWEMFGREX-UHFFFAOYSA-N
Compound name
2-amino-5-(3,4,5-trimethoxyphenyl)-5,6-dihydro-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.11682 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12410 171.7
[M+Na]+ 342.10604 181.9
[M-H]- 318.10954 177.0
[M+NH4]+ 337.15064 184.3
[M+K]+ 358.07998 179.4
[M+H-H2O]+ 302.11408 163.5
[M+HCOO]- 364.11502 191.2
[M+CH3COO]- 378.13067 207.9
[M+Na-2H]- 340.09149 174.3
[M]+ 319.11627 176.3
[M]- 319.11737 176.3
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.