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 178.1
[M+Na]+ 369.06280 187.9
[M-H]- 345.06630 182.7
[M+NH4]+ 364.10740 188.1
[M+K]+ 385.03674 180.4
[M+H-H2O]+ 329.07084 169.7
[M+HCOO]- 391.07178 192.0
[M+CH3COO]- 405.08743 206.8
[M+Na-2H]- 367.04825 176.5
[M]+ 346.07303 177.7
[M]- 346.07413 177.7
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.