CID 475736

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

Structural Information

Molecular Formula
C13H12N4O5
SMILES
COC1=CC=C(C=C1)C2C(OC3=C2C(=O)NC(=N3)N)[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O5/c1-21-7-4-2-6(3-5-7)8-9-10(18)15-13(14)16-11(9)22-12(8)17(19)20/h2-5,8,12H,1H3,(H3,14,15,16,18)
InChIKey
XLPZGSMFSSNQSA-UHFFFAOYSA-N
Compound name
2-amino-5-(4-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

304.08078 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.08806 163.7
[M+Na]+ 327.07000 171.8
[M-H]- 303.07350 168.9
[M+NH4]+ 322.11460 175.4
[M+K]+ 343.04394 164.7
[M+H-H2O]+ 287.07804 159.8
[M+HCOO]- 349.07898 184.4
[M+CH3COO]- 363.09463 197.3
[M+Na-2H]- 325.05545 170.5
[M]+ 304.08023 162.7
[M]- 304.08133 162.7
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.