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

1
Patents

218.08037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08765 148.2
[M+Na]+ 241.06959 157.7
[M-H]- 217.07309 147.6
[M+NH4]+ 236.11419 162.4
[M+K]+ 257.04353 154.9
[M+H-H2O]+ 201.07763 139.4
[M+HCOO]- 263.07857 164.3
[M+CH3COO]- 277.09422 188.5
[M+Na-2H]- 239.05504 154.4
[M]+ 218.07982 148.7
[M]- 218.08092 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