CID 3074869

165611-04-1

Structural Information

Molecular Formula
C12H8N4O3
SMILES
C1=CC=C(C=C1)C2=[N+](C=NC3=C2ON=C3C(=O)N)[O-]
InChI
InChI=1S/C12H8N4O3/c13-12(17)9-8-11(19-15-9)10(16(18)6-14-8)7-4-2-1-3-5-7/h1-6H,(H2,13,17)
InChIKey
FZKFKOYCTUYKFC-UHFFFAOYSA-N
Compound name
6-oxido-7-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-6-ium-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.05963 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.06691 151.3
[M+Na]+ 279.04885 167.4
[M+NH4]+ 274.09345 158.4
[M+K]+ 295.02279 166.2
[M-H]- 255.05235 156.2
[M+Na-2H]- 277.03430 158.6
[M]+ 256.05908 154.9
[M]- 256.06018 154.9
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.