CID 3074718

5-amino-2-phenyl-7h-1,3,4-oxadiazolo(3,2-a)pyrimidin-7-one

Structural Information

Molecular Formula
C11H8N4O2
SMILES
C1=CC=C(C=C1)C2=NN3C(=CC(=O)N=C3O2)N
InChI
InChI=1S/C11H8N4O2/c12-8-6-9(16)13-11-15(8)14-10(17-11)7-4-2-1-3-5-7/h1-6H,12H2
InChIKey
QKKOCZJBCAEXBK-UHFFFAOYSA-N
Compound name
5-amino-2-phenyl-[1,3,4]oxadiazolo[3,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.06473 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07201 146.4
[M+Na]+ 251.05395 159.0
[M-H]- 227.05745 151.9
[M+NH4]+ 246.09855 161.7
[M+K]+ 267.02789 155.3
[M+H-H2O]+ 211.06199 137.6
[M+HCOO]- 273.06293 169.8
[M+CH3COO]- 287.07858 160.2
[M+Na-2H]- 249.03940 155.1
[M]+ 228.06418 149.3
[M]- 228.06528 149.3
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.