CID 3004333

Nsc646352

Structural Information

Molecular Formula
C13H13N3O5S
SMILES
COC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=O)NC(=S)N2)OC
InChI
InChI=1S/C13H13N3O5S/c1-20-6-3-4-7(8(5-6)21-2)14-12(19)10(17)9-11(18)16-13(22)15-9/h3-5,9H,1-2H3,(H,14,19)(H2,15,16,18,22)
InChIKey
ZWXGVEPRAAYEPQ-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxyphenyl)-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0576 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06488 171.2
[M+Na]+ 346.04682 177.8
[M-H]- 322.05032 173.0
[M+NH4]+ 341.09142 183.1
[M+K]+ 362.02076 173.4
[M+H-H2O]+ 306.05486 164.0
[M+HCOO]- 368.05580 183.7
[M+CH3COO]- 382.07145 202.4
[M+Na-2H]- 344.03227 168.0
[M]+ 323.05705 171.4
[M]- 323.05815 171.4
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.