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

11
Patents

135.04326 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.050536 122.2
[M+Na]+ 158.032478 133.6
[M-H]- 134.035984 123.4
[M+NH4]+ 153.077083 143.0
[M+K]+ 174.006418 131.4
[M+H-H2O]+ 118.040520 114.8
[M+HCOO]- 180.041461 144.9
[M+CH3COO]- 194.057111 136.9
[M+Na-2H]- 156.017926 131.7
[M]+ 135.04271142 123.3
[M]- 135.04380858 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