CID 6450881

32502-17-3

Structural Information

Molecular Formula
C15H13N5O2
SMILES
CN1C2=NC(=O)N(C(=O)C2=NC(=N1)/C=C\C3=CC=CC=C3)C
InChI
InChI=1S/C15H13N5O2/c1-19-14(21)12-13(17-15(19)22)20(2)18-11(16-12)9-8-10-6-4-3-5-7-10/h3-9H,1-2H3/b9-8-
InChIKey
DKCTYPSLDALVIU-HJWRWDBZSA-N
Compound name
1,6-dimethyl-3-[(Z)-2-phenylethenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

295.10693 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11421 172.1
[M+Na]+ 318.09615 185.0
[M-H]- 294.09965 174.0
[M+NH4]+ 313.14075 181.9
[M+K]+ 334.07009 177.7
[M+H-H2O]+ 278.10419 160.8
[M+HCOO]- 340.10513 189.5
[M+CH3COO]- 354.12078 182.8
[M+Na-2H]- 316.08160 178.6
[M]+ 295.10638 175.0
[M]- 295.10748 175.0
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