CID 475755

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

Structural Information

Molecular Formula
C13H10ClN3O3
SMILES
COC1=C(C=C(C=C1)Cl)C2=COC3=C2C(=O)NC(=N3)N
InChI
InChI=1S/C13H10ClN3O3/c1-19-9-3-2-6(14)4-7(9)8-5-20-12-10(8)11(18)16-13(15)17-12/h2-5H,1H3,(H3,15,16,17,18)
InChIKey
VDOBSUWVJGRJTI-UHFFFAOYSA-N
Compound name
2-amino-5-(5-chloro-2-methoxyphenyl)-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.04108 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04836 162.3
[M+Na]+ 314.03030 175.8
[M-H]- 290.03380 168.0
[M+NH4]+ 309.07490 177.0
[M+K]+ 330.00424 170.4
[M+H-H2O]+ 274.03834 154.9
[M+HCOO]- 336.03928 180.3
[M+CH3COO]- 350.05493 175.3
[M+Na-2H]- 312.01575 167.5
[M]+ 291.04053 167.9
[M]- 291.04163 167.9
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.