CID 391624

Nsc691110

Structural Information

Molecular Formula
C10H11N3O3
SMILES
CN1C(=O)NN(C1=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C10H11N3O3/c1-12-9(14)11-13(10(12)15)7-3-5-8(16-2)6-4-7/h3-6H,1-2H3,(H,11,14)
InChIKey
REAUDWVVLFSJDF-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.08005 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.087326 144.8
[M+Na]+ 244.069268 156.6
[M-H]- 220.072774 147.7
[M+NH4]+ 239.113873 160.7
[M+K]+ 260.043208 152.9
[M+H-H2O]+ 204.077310 136.7
[M+HCOO]- 266.078251 166.7
[M+CH3COO]- 280.093901 185.0
[M+Na-2H]- 242.054716 148.8
[M]+ 221.07950142 147.3
[M]- 221.08059858 147.3
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.