CID 13478

2,4,6-triethyl 1,3,5-triazine-2,4,6-tricarboxylate

Structural Information

Molecular Formula
C12H15N3O6
SMILES
CCOC(=O)C1=NC(=NC(=N1)C(=O)OCC)C(=O)OCC
InChI
InChI=1S/C12H15N3O6/c1-4-19-10(16)7-13-8(11(17)20-5-2)15-9(14-7)12(18)21-6-3/h4-6H2,1-3H3
InChIKey
LKNPNZKIOSOWES-UHFFFAOYSA-N
Compound name
triethyl 1,3,5-triazine-2,4,6-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

297.0961 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10338 163.1
[M+Na]+ 320.08532 170.8
[M-H]- 296.08882 162.9
[M+NH4]+ 315.12992 174.2
[M+K]+ 336.05926 170.7
[M+H-H2O]+ 280.09336 154.2
[M+HCOO]- 342.09430 181.6
[M+CH3COO]- 356.10995 201.4
[M+Na-2H]- 318.07077 165.3
[M]+ 297.09555 170.8
[M]- 297.09665 170.8
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

No patent data available for this compound.