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

89
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

literature stripe

Patent stripe

patents stripe