CID 475739

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

Structural Information

Molecular Formula
C14H14N4O6
SMILES
COC1=C(C=C(C=C1)C2C(OC3=C2C(=O)NC(=N3)N)[N+](=O)[O-])OC
InChI
InChI=1S/C14H14N4O6/c1-22-7-4-3-6(5-8(7)23-2)9-10-11(19)16-14(15)17-12(10)24-13(9)18(20)21/h3-5,9,13H,1-2H3,(H3,15,16,17,19)
InChIKey
PLTNBFZVIBYQEH-UHFFFAOYSA-N
Compound name
2-amino-5-(3,4-dimethoxyphenyl)-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

334.09134 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09862 171.6
[M+Na]+ 357.08056 179.7
[M-H]- 333.08406 176.9
[M+NH4]+ 352.12516 182.1
[M+K]+ 373.05450 173.2
[M+H-H2O]+ 317.08860 167.5
[M+HCOO]- 379.08954 191.9
[M+CH3COO]- 393.10519 204.0
[M+Na-2H]- 355.06601 177.5
[M]+ 334.09079 172.6
[M]- 334.09189 172.6
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.