CID 5271008

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

Structural Information

Molecular Formula
C15H19N3O6
SMILES
COC1=CC=C(C=C1)CC2=NN(C(=O)NC2=O)COC(CO)CO
InChI
InChI=1S/C15H19N3O6/c1-23-11-4-2-10(3-5-11)6-13-14(21)16-15(22)18(17-13)9-24-12(7-19)8-20/h2-5,12,19-20H,6-9H2,1H3,(H,16,21,22)
InChIKey
XGBTVYDJQIAUBK-UHFFFAOYSA-N
Compound name
2-(1,3-dihydroxypropan-2-yloxymethyl)-6-[(4-methoxyphenyl)methyl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.12738 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13466 175.3
[M+Na]+ 360.11660 183.0
[M-H]- 336.12010 174.5
[M+NH4]+ 355.16120 182.6
[M+K]+ 376.09054 178.8
[M+H-H2O]+ 320.12464 165.5
[M+HCOO]- 382.12558 191.1
[M+CH3COO]- 396.14123 203.2
[M+Na-2H]- 358.10205 177.6
[M]+ 337.12683 178.6
[M]- 337.12793 178.6
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.