CID 3011443

Akos014889724

Structural Information

Molecular Formula
C13H11BrN2O3
SMILES
COC1=CC(=C(C=C1)O)C(=O)NC2=C(C=CC=N2)Br
InChI
InChI=1S/C13H11BrN2O3/c1-19-8-4-5-11(17)9(7-8)13(18)16-12-10(14)3-2-6-15-12/h2-7,17H,1H3,(H,15,16,18)
InChIKey
HWSINNGXYZKHDQ-UHFFFAOYSA-N
Compound name
N-(3-bromopyridin-2-yl)-2-hydroxy-5-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.9953 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.00258 161.1
[M+Na]+ 344.98452 171.6
[M-H]- 320.98802 168.0
[M+NH4]+ 340.02912 176.7
[M+K]+ 360.95846 160.0
[M+H-H2O]+ 304.99256 158.8
[M+HCOO]- 366.99350 181.1
[M+CH3COO]- 381.00915 202.3
[M+Na-2H]- 342.96997 167.2
[M]+ 321.99475 180.2
[M]- 321.99585 180.2
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.