CID 481504

Chembl65137

Structural Information

Molecular Formula
C19H13ClN2O3S
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NC3=NC4=C(S3)C=CC=C4Cl
InChI
InChI=1S/C19H13ClN2O3S/c1-25-12-6-5-10-9-15(23)13(8-11(10)7-12)18(24)22-19-21-17-14(20)3-2-4-16(17)26-19/h2-9,23H,1H3,(H,21,22,24)
InChIKey
HSJLIVRPUWALLP-UHFFFAOYSA-N
Compound name
N-(4-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-7-methoxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.03354 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.04082 184.6
[M+Na]+ 407.02276 196.5
[M-H]- 383.02626 192.1
[M+NH4]+ 402.06736 199.9
[M+K]+ 422.99670 189.5
[M+H-H2O]+ 367.03080 178.3
[M+HCOO]- 429.03174 197.6
[M+CH3COO]- 443.04739 196.0
[M+Na-2H]- 405.00821 187.8
[M]+ 384.03299 193.1
[M]- 384.03409 193.1
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.