CID 5271006

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

Structural Information

Molecular Formula
C14H17N3O5
SMILES
COC1=CC=C(C=C1)CC2=NN(C(=O)NC2=O)COCCO
InChI
InChI=1S/C14H17N3O5/c1-21-11-4-2-10(3-5-11)8-12-13(19)15-14(20)17(16-12)9-22-7-6-18/h2-5,18H,6-9H2,1H3,(H,15,19,20)
InChIKey
LLLQLOQEROFZBA-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethoxymethyl)-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

307.11682 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12410 168.4
[M+Na]+ 330.10604 177.7
[M-H]- 306.10954 169.1
[M+NH4]+ 325.15064 177.9
[M+K]+ 346.07998 173.1
[M+H-H2O]+ 290.11408 158.7
[M+HCOO]- 352.11502 186.9
[M+CH3COO]- 366.13067 199.2
[M+Na-2H]- 328.09149 172.7
[M]+ 307.11627 172.4
[M]- 307.11737 172.4
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.