CID 100557

1,3,5-triazine-2-acetamide, 1,4,5,6-tetrahydro-n-(2-methoxyphenyl)-4,6-dioxo-

Structural Information

Molecular Formula
C12H12N4O4
SMILES
COC1=CC=CC=C1NC(=O)CC2=NC(=O)NC(=O)N2
InChI
InChI=1S/C12H12N4O4/c1-20-8-5-3-2-4-7(8)13-10(17)6-9-14-11(18)16-12(19)15-9/h2-5H,6H2,1H3,(H,13,17)(H2,14,15,16,18,19)
InChIKey
WZQRSZBDOYBYFK-UHFFFAOYSA-N
Compound name
2-(4,6-dioxo-1H-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

0
Patents

276.08585 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.093126 159.8
[M+Na]+ 299.075068 168.5
[M-H]- 275.078574 160.7
[M+NH4]+ 294.119673 169.9
[M+K]+ 315.049008 163.6
[M+H-H2O]+ 259.083110 150.4
[M+HCOO]- 321.084051 179.1
[M+CH3COO]- 335.099701 194.6
[M+Na-2H]- 297.060516 165.3
[M]+ 276.08530142 159.3
[M]- 276.08639858 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.