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]+ 308.124096 168.4
[M+Na]+ 330.106038 177.7
[M-H]- 306.109544 169.1
[M+NH4]+ 325.150643 177.9
[M+K]+ 346.079978 173.1
[M+H-H2O]+ 290.114080 158.7
[M+HCOO]- 352.115021 186.9
[M+CH3COO]- 366.130671 199.2
[M+Na-2H]- 328.091486 172.7
[M]+ 307.11627142 172.4
[M]- 307.11736858 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.