CID 5271009

2-(2-hydroxyethoxymethyl)-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazine-3,5-dione

Structural Information

Molecular Formula
C13H15N3O5
SMILES
C1=CC(=CC=C1CC2=NN(C(=O)NC2=O)COCCO)O
InChI
InChI=1S/C13H15N3O5/c17-5-6-21-8-16-13(20)14-12(19)11(15-16)7-9-1-3-10(18)4-2-9/h1-4,17-18H,5-8H2,(H,14,19,20)
InChIKey
OQBMZQHQRKKJKD-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxymethyl)-6-[(4-hydroxyphenyl)methyl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.10117 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10845 164.7
[M+Na]+ 316.09039 173.9
[M-H]- 292.09389 164.2
[M+NH4]+ 311.13499 174.0
[M+K]+ 332.06433 168.8
[M+H-H2O]+ 276.09843 155.4
[M+HCOO]- 338.09937 182.0
[M+CH3COO]- 352.11502 194.1
[M+Na-2H]- 314.07584 169.0
[M]+ 293.10062 166.5
[M]- 293.10172 166.5
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.