CID 5275346

2-(2-hydroxyethoxymethyl)-6-(p-tolylmethyl)-1,2,4-triazine-3,5-dione

Structural Information

Molecular Formula
C14H17N3O4
SMILES
CC1=CC=C(C=C1)CC2=NN(C(=O)NC2=O)COCCO
InChI
InChI=1S/C14H17N3O4/c1-10-2-4-11(5-3-10)8-12-13(19)15-14(20)17(16-12)9-21-7-6-18/h2-5,18H,6-9H2,1H3,(H,15,19,20)
InChIKey
UVCFSUROTZSDDI-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxymethyl)-6-[(4-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12192 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 166.1
[M+Na]+ 314.11114 175.6
[M-H]- 290.11464 166.8
[M+NH4]+ 309.15574 176.4
[M+K]+ 330.08508 170.4
[M+H-H2O]+ 274.11918 156.6
[M+HCOO]- 336.12012 184.4
[M+CH3COO]- 350.13577 197.0
[M+Na-2H]- 312.09659 170.3
[M]+ 291.12137 168.7
[M]- 291.12247 168.7
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.