CID 481506

Chembl65164

Structural Information

Molecular Formula
C15H11ClN2O3S
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NC3=NC=C(S3)Cl
InChI
InChI=1S/C15H11ClN2O3S/c1-21-10-3-2-8-6-12(19)11(5-9(8)4-10)14(20)18-15-17-7-13(16)22-15/h2-7,19H,1H3,(H,17,18,20)
InChIKey
IOUXFXPPOMBHFD-UHFFFAOYSA-N
Compound name
N-(5-chloro-1,3-thiazol-2-yl)-3-hydroxy-7-methoxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.01788 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.02516 171.3
[M+Na]+ 357.00710 182.8
[M-H]- 333.01060 177.9
[M+NH4]+ 352.05170 187.6
[M+K]+ 372.98104 176.6
[M+H-H2O]+ 317.01514 165.3
[M+HCOO]- 379.01608 185.8
[M+CH3COO]- 393.03173 183.5
[M+Na-2H]- 354.99255 173.7
[M]+ 334.01733 178.9
[M]- 334.01843 178.9
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.