CID 215071

Ur 89

Structural Information

Molecular Formula
C11H13N3O3
SMILES
CCOC1=CC=C(C=C1)N2C(=O)NC(=O)N2C
InChI
InChI=1S/C11H13N3O3/c1-3-17-9-6-4-8(5-7-9)14-11(16)12-10(15)13(14)2/h4-7H,3H2,1-2H3,(H,12,15,16)
InChIKey
GNWREHNXBNPXDP-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-2-methyl-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09569 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10297 151.3
[M+Na]+ 258.08491 164.7
[M+NH4]+ 253.12951 156.9
[M+K]+ 274.05885 161.3
[M-H]- 234.08841 151.7
[M+Na-2H]- 256.07036 157.2
[M]+ 235.09514 153.1
[M]- 235.09624 153.1
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.