CID 363578

Nsc628557

Structural Information

Molecular Formula
C15H13N3O5
SMILES
CCOC(=O)C1=CN=C2N(C1=O)N=C(O2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C15H13N3O5/c1-3-22-14(20)11-8-16-15-18(13(11)19)17-12(23-15)9-4-6-10(21-2)7-5-9/h4-8H,3H2,1-2H3
InChIKey
JXGXTTARQPDPFN-UHFFFAOYSA-N
Compound name
ethyl 2-(4-methoxyphenyl)-5-oxo-[1,3,4]oxadiazolo[3,2-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0855 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09278 168.3
[M+Na]+ 338.07472 180.2
[M-H]- 314.07822 174.3
[M+NH4]+ 333.11932 180.4
[M+K]+ 354.04866 178.1
[M+H-H2O]+ 298.08276 159.0
[M+HCOO]- 360.08370 189.6
[M+CH3COO]- 374.09935 204.6
[M+Na-2H]- 336.06017 173.6
[M]+ 315.08495 177.3
[M]- 315.08605 177.3
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.