CID 69960580

7h,8h-imidazo[1,2-a]pyrimidin-7-one

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1C=NC2=NC(=O)C=CN21
InChI
InChI=1S/C6H5N3O/c10-5-1-3-9-4-2-7-6(9)8-5/h1-3H,4H2
InChIKey
HHFXCLGLEUHEDL-UHFFFAOYSA-N
Compound name
3H-imidazo[1,2-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

135.04326 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 122.2
[M+Na]+ 158.03248 133.6
[M-H]- 134.03598 123.4
[M+NH4]+ 153.07708 143.0
[M+K]+ 174.00642 131.4
[M+H-H2O]+ 118.04052 114.8
[M+HCOO]- 180.04146 144.9
[M+CH3COO]- 194.05711 136.9
[M+Na-2H]- 156.01793 131.7
[M]+ 135.04271 123.3
[M]- 135.04381 123.3
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

patents stripe