CID 383267

Nsc671381

Structural Information

Molecular Formula
C15H16N2O5S
SMILES
CCOC(=O)CCN1C(=O)C(=O)N(C1=S)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16N2O5S/c1-3-22-12(18)8-9-16-13(19)14(20)17(15(16)23)10-4-6-11(21-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKey
MNWISZQHHYEREN-UHFFFAOYSA-N
Compound name
ethyl 3-[3-(4-methoxyphenyl)-4,5-dioxo-2-sulfanylideneimidazolidin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.078 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08528 175.0
[M+Na]+ 359.06722 183.9
[M-H]- 335.07072 179.8
[M+NH4]+ 354.11182 188.7
[M+K]+ 375.04116 180.3
[M+H-H2O]+ 319.07526 167.7
[M+HCOO]- 381.07620 190.0
[M+CH3COO]- 395.09185 208.0
[M+Na-2H]- 357.05267 171.3
[M]+ 336.07745 181.4
[M]- 336.07855 181.4
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.