CID 457320

Chembl2441147

Structural Information

Molecular Formula
C17H12BrNO2
SMILES
C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C17H12BrNO2/c18-12-6-8-13(9-7-12)19-17(21)15-10-5-11-3-1-2-4-14(11)16(15)20/h1-10,20H,(H,19,21)
InChIKey
TZIJMBREHHQPDB-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.00513 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01241 170.4
[M+Na]+ 363.99435 180.5
[M-H]- 339.99785 179.1
[M+NH4]+ 359.03895 187.3
[M+K]+ 379.96829 167.8
[M+H-H2O]+ 324.00239 168.7
[M+HCOO]- 386.00333 189.8
[M+CH3COO]- 400.01898 183.2
[M+Na-2H]- 361.97980 177.0
[M]+ 341.00458 187.7
[M]- 341.00568 187.7
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.