CID 390564

Nsc688073

Structural Information

Molecular Formula
C11H11N3O4
SMILES
CC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C11H11N3O4/c1-7(15)14-11(17)13(10(16)12-14)8-3-5-9(18-2)6-4-8/h3-6H,1-2H3,(H,12,16)
InChIKey
CDWQLPKZMZGOMK-UHFFFAOYSA-N
Compound name
1-acetyl-4-(4-methoxyphenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

249.07495 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08223 150.9
[M+Na]+ 272.06417 162.2
[M-H]- 248.06767 153.9
[M+NH4]+ 267.10877 165.5
[M+K]+ 288.03811 158.8
[M+H-H2O]+ 232.07221 142.8
[M+HCOO]- 294.07315 171.9
[M+CH3COO]- 308.08880 189.6
[M+Na-2H]- 270.04962 153.5
[M]+ 249.07440 153.8
[M]- 249.07550 153.8
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

patents stripe