CID 477906

Chembl4877099

Structural Information

Molecular Formula
C22H18N4O7S
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN3C(SCC3=O)C4=CC=C(O4)[N+](=O)[O-]
InChI
InChI=1S/C22H18N4O7S/c1-32-16-8-4-13(5-9-16)20(28)23-15-6-2-14(3-7-15)21(29)24-25-18(27)12-34-22(25)17-10-11-19(33-17)26(30)31/h2-11,22H,12H2,1H3,(H,23,28)(H,24,29)
InChIKey
RWQLFELXZNHMGZ-UHFFFAOYSA-N
Compound name
4-[(4-methoxybenzoyl)amino]-N-[2-(5-nitrofuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

482.08963 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.09691 209.7
[M+Na]+ 505.07885 211.8
[M-H]- 481.08235 222.5
[M+NH4]+ 500.12345 215.7
[M+K]+ 521.05279 205.6
[M+H-H2O]+ 465.08689 205.2
[M+HCOO]- 527.08783 227.6
[M+CH3COO]- 541.10348 230.7
[M+Na-2H]- 503.06430 210.0
[M]+ 482.08908 210.5
[M]- 482.09018 210.5
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.