CID 460748

32502-63-9

Structural Information

Molecular Formula
C13H11N5O2
SMILES
CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=CC=C3)C
InChI
InChI=1S/C13H11N5O2/c1-17-12(19)9-11(15-13(17)20)18(2)16-10(14-9)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey
SFOMBJIIZPCRJH-UHFFFAOYSA-N
Compound name
1,6-dimethyl-3-phenylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

14
Patents

269.09128 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.098556 164.0
[M+Na]+ 292.080498 177.5
[M-H]- 268.084004 166.2
[M+NH4]+ 287.125103 174.9
[M+K]+ 308.054438 171.2
[M+H-H2O]+ 252.088540 153.1
[M+HCOO]- 314.089481 181.9
[M+CH3COO]- 328.105131 175.5
[M+Na-2H]- 290.065946 171.6
[M]+ 269.09073142 167.1
[M]- 269.09182858 167.1
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