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]+ 296.114206 172.1
[M+Na]+ 318.096148 185.0
[M-H]- 294.099654 174.0
[M+NH4]+ 313.140753 181.9
[M+K]+ 334.070088 177.7
[M+H-H2O]+ 278.104190 160.8
[M+HCOO]- 340.105131 189.5
[M+CH3COO]- 354.120781 182.8
[M+Na-2H]- 316.081596 178.6
[M]+ 295.10638142 175.0
[M]- 295.10747858 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