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]+ 389.03572 188.2
[M+Na]+ 411.01766 195.8
[M-H]- 387.02116 195.7
[M+NH4]+ 406.06226 200.3
[M+K]+ 426.99160 188.4
[M+H-H2O]+ 371.02570 180.8
[M+HCOO]- 433.02664 199.8
[M+CH3COO]- 447.04229 212.5
[M+Na-2H]- 409.00311 185.7
[M]+ 388.02789 190.4
[M]- 388.02899 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

literature stripe

Patent stripe

No patent data available for this compound.