CID 4439745

307941-62-4

Structural Information

Molecular Formula
C15H14N4O4S
SMILES
COC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3=CC(=O)NC(=S)N3
InChI
InChI=1S/C15H14N4O4S/c1-23-9-4-2-8(3-5-9)19-13(21)6-10(14(19)22)16-11-7-12(20)18-15(24)17-11/h2-5,7,10H,6H2,1H3,(H3,16,17,18,20,24)
InChIKey
MKAMGOGHPXHKHU-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)amino]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.07358 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08086 179.2
[M+Na]+ 369.06280 190.7
[M+NH4]+ 364.10740 183.5
[M+K]+ 385.03674 185.7
[M-H]- 345.06630 181.0
[M+Na-2H]- 367.04825 183.8
[M]+ 346.07303 181.3
[M]- 346.07413 181.3
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.