CID 3059462

76603-27-5

Structural Information

Molecular Formula
C12H14N4O2
SMILES
CCC(=O)N1C=NN(C2=C1C=NC=C2)C(=O)CC
InChI
InChI=1S/C12H14N4O2/c1-3-11(17)15-8-14-16(12(18)4-2)9-5-6-13-7-10(9)15/h5-8H,3-4H2,1-2H3
InChIKey
WDQYTJGPJKHANS-UHFFFAOYSA-N
Compound name
1-(1-propanoylpyrido[3,4-e][1,2,4]triazin-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.11168 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11896 157.3
[M+Na]+ 269.10090 165.9
[M-H]- 245.10440 156.3
[M+NH4]+ 264.14550 170.3
[M+K]+ 285.07484 162.5
[M+H-H2O]+ 229.10894 148.0
[M+HCOO]- 291.10988 172.7
[M+CH3COO]- 305.12553 194.4
[M+Na-2H]- 267.08635 162.4
[M]+ 246.11113 158.5
[M]- 246.11223 158.5
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

patents stripe