CID 475749

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

Structural Information

Molecular Formula
C12H8ClN3O2
SMILES
C1=CC(=CC=C1C2=COC3=C2C(=O)NC(=N3)N)Cl
InChI
InChI=1S/C12H8ClN3O2/c13-7-3-1-6(2-4-7)8-5-18-11-9(8)10(17)15-12(14)16-11/h1-5H,(H3,14,15,16,17)
InChIKey
AHRCXBKBXLTAAD-UHFFFAOYSA-N
Compound name
2-amino-5-(4-chlorophenyl)-3H-furo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

261.03052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03780 154.4
[M+Na]+ 284.01974 167.7
[M-H]- 260.02324 159.8
[M+NH4]+ 279.06434 170.2
[M+K]+ 299.99368 161.7
[M+H-H2O]+ 244.02778 147.1
[M+HCOO]- 306.02872 172.6
[M+CH3COO]- 320.04437 167.7
[M+Na-2H]- 282.00519 160.8
[M]+ 261.02997 157.8
[M]- 261.03107 157.8
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.