CID 506154

Chembl117744

Structural Information

Molecular Formula
C7H7N5O
SMILES
CC1=C(N=C2N=NC=NN2C1=O)C
InChI
InChI=1S/C7H7N5O/c1-4-5(2)10-7-11-8-3-9-12(7)6(4)13/h3H,1-2H3
InChIKey
UOJAJKRXXQAZCU-UHFFFAOYSA-N
Compound name
7,8-dimethylpyrimido[1,2-b][1,2,4,5]tetrazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

177.06506 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.07234 138.4
[M+Na]+ 200.05428 151.4
[M-H]- 176.05778 137.2
[M+NH4]+ 195.09888 153.3
[M+K]+ 216.02822 147.6
[M+H-H2O]+ 160.06232 129.4
[M+HCOO]- 222.06326 156.9
[M+CH3COO]- 236.07891 151.2
[M+Na-2H]- 198.03973 148.3
[M]+ 177.06451 140.7
[M]- 177.06561 140.7
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

No patent data available for this compound.