CID 322478

32502-16-2

Structural Information

Molecular Formula
C15H15N5O4
SMILES
CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC(=C(C=C3)OC)OC)C
InChI
InChI=1S/C15H15N5O4/c1-19-14(21)11-13(17-15(19)22)20(2)18-12(16-11)8-5-6-9(23-3)10(7-8)24-4/h5-7H,1-4H3
InChIKey
MWQDYWIWJRWUBC-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

329.1124 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11968 179.6
[M+Na]+ 352.10162 193.3
[M-H]- 328.10512 182.3
[M+NH4]+ 347.14622 188.3
[M+K]+ 368.07556 188.1
[M+H-H2O]+ 312.10966 168.3
[M+HCOO]- 374.11060 196.9
[M+CH3COO]- 388.12625 212.3
[M+Na-2H]- 350.08707 184.6
[M]+ 329.11185 186.8
[M]- 329.11295 186.8
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

patents stripe