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
1
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]+ 277.09313 159.8
[M+Na]+ 299.07507 168.5
[M-H]- 275.07857 160.7
[M+NH4]+ 294.11967 169.9
[M+K]+ 315.04901 163.6
[M+H-H2O]+ 259.08311 150.4
[M+HCOO]- 321.08405 179.1
[M+CH3COO]- 335.09970 194.6
[M+Na-2H]- 297.06052 165.3
[M]+ 276.08530 159.3
[M]- 276.08640 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.