CID 481505

Chembl63201

Structural Information

Molecular Formula
C21H15ClN2O3S
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H15ClN2O3S/c1-27-16-7-4-13-10-19(25)17(9-14(13)8-16)20(26)24-21-23-18(11-28-21)12-2-5-15(22)6-3-12/h2-11,25H,1H3,(H,23,24,26)
InChIKey
FIQZKGVJJVFFQF-UHFFFAOYSA-N
Compound name
N-[4-(4-chlorophenyl)-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

410.0492 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.05648 193.2
[M+Na]+ 433.03842 204.2
[M-H]- 409.04192 202.8
[M+NH4]+ 428.08302 206.1
[M+K]+ 449.01236 196.7
[M+H-H2O]+ 393.04646 185.7
[M+HCOO]- 455.04740 207.1
[M+CH3COO]- 469.06305 204.0
[M+Na-2H]- 431.02387 194.5
[M]+ 410.04865 200.9
[M]- 410.04975 200.9
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.