CID 481480

50729-40-3

Structural Information

Molecular Formula
C17H12BrNO2
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Br)O
InChI
InChI=1S/C17H12BrNO2/c18-13-5-7-14(8-6-13)19-17(21)15-9-11-3-1-2-4-12(11)10-16(15)20/h1-10,20H,(H,19,21)
InChIKey
HBCJKVALTGCACO-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

13
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

patents stripe