CID 5276250

5-[2-(4-chloroanilino)thiazol-5-yl]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C16H12ClN3O2S
SMILES
C1=CC(=CC=C1NC2=NC=C(S2)C3=CC(=C(C=C3)O)C(=O)N)Cl
InChI
InChI=1S/C16H12ClN3O2S/c17-10-2-4-11(5-3-10)20-16-19-8-14(23-16)9-1-6-13(21)12(7-9)15(18)22/h1-8,21H,(H2,18,22)(H,19,20)
InChIKey
MPDHFDXRUGHMJL-UHFFFAOYSA-N
Compound name
5-[2-(4-chloroanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.03387 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.04115 176.1
[M+Na]+ 368.02309 185.4
[M-H]- 344.02659 184.1
[M+NH4]+ 363.06769 189.9
[M+K]+ 383.99703 178.0
[M+H-H2O]+ 328.03113 168.9
[M+HCOO]- 390.03207 190.7
[M+CH3COO]- 404.04772 187.0
[M+Na-2H]- 366.00854 176.0
[M]+ 345.03332 178.4
[M]- 345.03442 178.4
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.