CID 3059457

Pyrido(3,4-e)-1,2,4-triazine, 1,4-dihydro-1,4-diacetyl-

Structural Information

Molecular Formula
C10H10N4O2
SMILES
CC(=O)N1C=NN(C2=C1C=NC=C2)C(=O)C
InChI
InChI=1S/C10H10N4O2/c1-7(15)13-6-12-14(8(2)16)9-3-4-11-5-10(9)13/h3-6H,1-2H3
InChIKey
DFPDUIFXMWEHGL-UHFFFAOYSA-N
Compound name
1-(1-acetylpyrido[3,4-e][1,2,4]triazin-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

218.08037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.087646 148.2
[M+Na]+ 241.069588 157.7
[M-H]- 217.073094 147.6
[M+NH4]+ 236.114193 162.4
[M+K]+ 257.043528 154.9
[M+H-H2O]+ 201.077630 139.4
[M+HCOO]- 263.078571 164.3
[M+CH3COO]- 277.094221 188.5
[M+Na-2H]- 239.055036 154.4
[M]+ 218.07982142 148.7
[M]- 218.08091858 148.7
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