CID 136237946

1403820-30-3

Structural Information

Molecular Formula
C4H3N5O2
SMILES
C12=C(NC(=O)N1)N=NNC2=O
InChI
InChI=1S/C4H3N5O2/c10-3-1-2(7-9-8-3)6-4(11)5-1/h(H3,5,6,7,8,10,11)
InChIKey
SGERKLTVOIUKSN-UHFFFAOYSA-N
Compound name
5,7-dihydro-3H-imidazo[4,5-d]triazine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

153.02867 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03595 127.8
[M+Na]+ 176.01789 140.9
[M-H]- 152.02139 123.3
[M+NH4]+ 171.06249 143.2
[M+K]+ 191.99183 135.6
[M+H-H2O]+ 136.02593 120.3
[M+HCOO]- 198.02687 145.5
[M+CH3COO]- 212.04252 140.3
[M+Na-2H]- 174.00334 136.6
[M]+ 153.02812 126.2
[M]- 153.02922 126.2
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