CID 176480

1h-imidazo(2,1-b)purin-4(5h)-one

Structural Information

Molecular Formula
C7H5N5O
SMILES
C1=CN2C3=C(C(=O)NC2=N1)NC=N3
InChI
InChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)12-2-1-8-7(12)11-6/h1-3H,(H,9,10)(H,8,11,13)
InChIKey
OSXKHFTZRHDUJN-UHFFFAOYSA-N
Compound name
3,5-dihydroimidazo[2,1-b]purin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

25
References

119
Patents

175.04941 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.05669 132.6
[M+Na]+ 198.03863 146.9
[M-H]- 174.04213 131.1
[M+NH4]+ 193.08323 150.8
[M+K]+ 214.01257 141.6
[M+H-H2O]+ 158.04667 124.9
[M+HCOO]- 220.04761 152.7
[M+CH3COO]- 234.06326 146.1
[M+Na-2H]- 196.02408 141.2
[M]+ 175.04886 134.5
[M]- 175.04996 134.5
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