CID 5271011

1,2,4-triazine-3,5(2h,4h)-dione, 2-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-6-[(4-hydroxyphenyl)methyl]-

Structural Information

Molecular Formula
C14H17N3O6
SMILES
C1=CC(=CC=C1CC2=NN(C(=O)NC2=O)COC(CO)CO)O
InChI
InChI=1S/C14H17N3O6/c18-6-11(7-19)23-8-17-14(22)15-13(21)12(16-17)5-9-1-3-10(20)4-2-9/h1-4,11,18-20H,5-8H2,(H,15,21,22)
InChIKey
OZJDDOHGODFBSR-UHFFFAOYSA-N
Compound name
2-(1,3-dihydroxypropan-2-yloxymethyl)-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

323.11172 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11900 171.5
[M+Na]+ 346.10094 179.2
[M-H]- 322.10444 169.6
[M+NH4]+ 341.14554 178.7
[M+K]+ 362.07488 174.4
[M+H-H2O]+ 306.10898 162.2
[M+HCOO]- 368.10992 186.1
[M+CH3COO]- 382.12557 198.2
[M+Na-2H]- 344.08639 173.9
[M]+ 323.11117 172.7
[M]- 323.11227 172.7
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.