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]+ 229.072006 146.4
[M+Na]+ 251.053948 159.0
[M-H]- 227.057454 151.9
[M+NH4]+ 246.098553 161.7
[M+K]+ 267.027888 155.3
[M+H-H2O]+ 211.061990 137.6
[M+HCOO]- 273.062931 169.8
[M+CH3COO]- 287.078581 160.2
[M+Na-2H]- 249.039396 155.1
[M]+ 228.06418142 149.3
[M]- 228.06527858 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.