CID 475737

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

Structural Information

Molecular Formula
C15H16N4O7
SMILES
COC1=CC(=CC(=C1OC)OC)C2C(OC3=C2C(=O)NC(=N3)N)[N+](=O)[O-]
InChI
InChI=1S/C15H16N4O7/c1-23-7-4-6(5-8(24-2)11(7)25-3)9-10-12(20)17-15(16)18-13(10)26-14(9)19(21)22/h4-5,9,14H,1-3H3,(H3,16,17,18,20)
InChIKey
LSVRVZFIHUGGRD-UHFFFAOYSA-N
Compound name
2-amino-6-nitro-5-(3,4,5-trimethoxyphenyl)-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

364.1019 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10918 179.2
[M+Na]+ 387.09112 187.3
[M-H]- 363.09462 184.7
[M+NH4]+ 382.13572 188.6
[M+K]+ 403.06506 181.4
[M+H-H2O]+ 347.09916 175.0
[M+HCOO]- 409.10010 199.2
[M+CH3COO]- 423.11575 210.7
[M+Na-2H]- 385.07657 184.3
[M]+ 364.10135 182.3
[M]- 364.10245 182.3
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.