CID 5466296

Nsc684049

Structural Information

Molecular Formula
C6H7N5O
SMILES
CCOC1=NN=NC2=C1NC=N2
InChI
InChI=1S/C6H7N5O/c1-2-12-6-4-5(8-3-7-4)9-11-10-6/h3H,2H2,1H3,(H,7,8,9,10)
InChIKey
BCOZPDYBVYJCNR-UHFFFAOYSA-N
Compound name
4-ethoxy-5H-imidazo[4,5-d]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.06506 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.07234 132.3
[M+Na]+ 188.05428 144.0
[M-H]- 164.05778 129.6
[M+NH4]+ 183.09888 148.4
[M+K]+ 204.02822 140.7
[M+H-H2O]+ 148.06232 123.5
[M+HCOO]- 210.06326 151.8
[M+CH3COO]- 224.07891 145.0
[M+Na-2H]- 186.03973 142.0
[M]+ 165.06451 134.5
[M]- 165.06561 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.