CID 391921

Nsc691601

Structural Information

Molecular Formula
C12H15N3O5
SMILES
CN1C(=O)NN(C1=O)C2=C(C=C(C=C2OC)OC)OC
InChI
InChI=1S/C12H15N3O5/c1-14-11(16)13-15(12(14)17)10-8(19-3)5-7(18-2)6-9(10)20-4/h5-6H,1-4H3,(H,13,16)
InChIKey
SVQRMOWLHPAGRY-UHFFFAOYSA-N
Compound name
4-methyl-1-(2,4,6-trimethoxyphenyl)-1,2,4-triazolidine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.10117 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10845 158.7
[M+Na]+ 304.09039 170.9
[M-H]- 280.09389 162.0
[M+NH4]+ 299.13499 172.5
[M+K]+ 320.06433 168.0
[M+H-H2O]+ 264.09843 150.5
[M+HCOO]- 326.09937 180.2
[M+CH3COO]- 340.11502 198.0
[M+Na-2H]- 302.07584 160.5
[M]+ 281.10062 165.5
[M]- 281.10172 165.5
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.