CID 475742

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

Structural Information

Molecular Formula
C13H11ClN4O5
SMILES
COC1=C(C=C(C=C1)Cl)C2C(OC3=C2C(=O)NC(=N3)N)[N+](=O)[O-]
InChI
InChI=1S/C13H11ClN4O5/c1-22-7-3-2-5(14)4-6(7)8-9-10(19)16-13(15)17-11(9)23-12(8)18(20)21/h2-4,8,12H,1H3,(H3,15,16,17,19)
InChIKey
OOSKCAHBVBYSFC-UHFFFAOYSA-N
Compound name
2-amino-5-(5-chloro-2-methoxyphenyl)-6-nitro-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

338.0418 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.04908 172.7
[M+Na]+ 361.03102 181.9
[M-H]- 337.03452 177.7
[M+NH4]+ 356.07562 183.9
[M+K]+ 377.00496 173.7
[M+H-H2O]+ 321.03906 169.6
[M+HCOO]- 383.04000 188.5
[M+CH3COO]- 397.05565 202.3
[M+Na-2H]- 359.01647 177.9
[M]+ 338.04125 174.1
[M]- 338.04235 174.1
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.