CID 3118252

324567-08-0

Structural Information

Molecular Formula
C17H15N3O6
SMILES
CC1=C(C(NC(=O)N1)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C17H15N3O6/c1-9-14(16(21)25-2)15(19-17(22)18-9)13-7-6-12(26-13)10-4-3-5-11(8-10)20(23)24/h3-8,15H,1-2H3,(H2,18,19,22)
InChIKey
FYQDPZXRMZZOCL-UHFFFAOYSA-N
Compound name
methyl 6-methyl-4-[5-(3-nitrophenyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.0961 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10338 180.2
[M+Na]+ 380.08532 185.7
[M-H]- 356.08882 186.2
[M+NH4]+ 375.12992 187.9
[M+K]+ 396.05926 178.2
[M+H-H2O]+ 340.09336 175.6
[M+HCOO]- 402.09430 197.1
[M+CH3COO]- 416.10995 202.5
[M+Na-2H]- 378.07077 182.3
[M]+ 357.09555 177.5
[M]- 357.09665 177.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.