CID 18808443

Chembl1766988

Structural Information

Molecular Formula
C18H13ClN2O4S
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)NC(=O)S3
InChI
InChI=1S/C18H13ClN2O4S/c19-12-2-1-3-13(9-12)20-16(22)10-25-14-6-4-11(5-7-14)8-15-17(23)21-18(24)26-15/h1-9H,10H2,(H,20,22)(H,21,23,24)/b15-8-
InChIKey
UENKSVGEBXJETK-NVNXTCNLSA-N
Compound name
N-(3-chlorophenyl)-2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

388.02844 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.035716 188.2
[M+Na]+ 411.017658 195.8
[M-H]- 387.021164 195.7
[M+NH4]+ 406.062263 200.3
[M+K]+ 426.991598 188.4
[M+H-H2O]+ 371.025700 180.8
[M+HCOO]- 433.026641 199.8
[M+CH3COO]- 447.042291 212.5
[M+Na-2H]- 409.003106 185.7
[M]+ 388.02789142 190.4
[M]- 388.02898858 190.4
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.