CID 124322

1,(n2)-ethenoguanine

Structural Information

Molecular Formula
C7H5N5O
SMILES
C1=CN2C(=O)C3=C(NC2=N1)N=CN3
InChI
InChI=1S/C7H5N5O/c13-6-4-5(10-3-9-4)11-7-8-1-2-12(6)7/h1-3H,(H,8,11)(H,9,10)
InChIKey
JAQUADIPBIOFCE-UHFFFAOYSA-N
Compound name
1,4-dihydroimidazo[1,2-a]purin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

28
References

1223
Patents

175.04941 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.056686 132.6
[M+Na]+ 198.038628 146.9
[M-H]- 174.042134 131.1
[M+NH4]+ 193.083233 150.8
[M+K]+ 214.012568 141.6
[M+H-H2O]+ 158.046670 124.9
[M+HCOO]- 220.047611 152.7
[M+CH3COO]- 234.063261 146.1
[M+Na-2H]- 196.024076 141.2
[M]+ 175.04886142 134.5
[M]- 175.04995858 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