CID 124218

Pyrimido[1,2-a]purin-10(1h)-one

Structural Information

Molecular Formula
C8H5N5O
SMILES
C1=CN2C(=O)C3=C(N=CN3)N=C2N=C1
InChI
InChI=1S/C8H5N5O/c14-7-5-6(11-4-10-5)12-8-9-2-1-3-13(7)8/h1-4H,(H,10,11)
InChIKey
ZREGNVKUSNORFO-UHFFFAOYSA-N
Compound name
1H-pyrimido[1,2-a]purin-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

187.04941 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.05669 137.1
[M+Na]+ 210.03863 150.6
[M-H]- 186.04213 135.9
[M+NH4]+ 205.08323 153.5
[M+K]+ 226.01257 145.2
[M+H-H2O]+ 170.04667 128.3
[M+HCOO]- 232.04761 156.0
[M+CH3COO]- 246.06326 150.0
[M+Na-2H]- 208.02408 147.8
[M]+ 187.04886 138.7
[M]- 187.04996 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe