CID 337010

8h-(1,3)oxazolo(3,4-a)perimidin-10-one

Structural Information

Molecular Formula
C13H8N2O2
SMILES
C1C2=NC3=CC=CC4=C3C(=CC=C4)N2C(=O)O1
InChI
InChI=1S/C13H8N2O2/c16-13-15-10-6-2-4-8-3-1-5-9(12(8)10)14-11(15)7-17-13/h1-6H,7H2
InChIKey
IWLBTKROGNSERQ-UHFFFAOYSA-N
Compound name
8H-[1,3]oxazolo[3,4-a]perimidin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.05858 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06586 144.7
[M+Na]+ 247.04780 155.5
[M-H]- 223.05130 148.8
[M+NH4]+ 242.09240 164.2
[M+K]+ 263.02174 152.0
[M+H-H2O]+ 207.05584 137.0
[M+HCOO]- 269.05678 162.3
[M+CH3COO]- 283.07243 157.9
[M+Na-2H]- 245.03325 153.6
[M]+ 224.05803 146.9
[M]- 224.05913 146.9
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.