CID 4263237

5-bromo-2-hydroxy-n-(4-methyl-1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C11H9BrN2O2S
SMILES
CC1=CSC(=N1)NC(=O)C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C11H9BrN2O2S/c1-6-5-17-11(13-6)14-10(16)8-4-7(12)2-3-9(8)15/h2-5,15H,1H3,(H,13,14,16)
InChIKey
NUTVAIPJEZNPPD-UHFFFAOYSA-N
Compound name
5-bromo-2-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.95682 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.96410 152.8
[M+Na]+ 334.94604 165.5
[M-H]- 310.94954 160.7
[M+NH4]+ 329.99064 171.8
[M+K]+ 350.91998 152.8
[M+H-H2O]+ 294.95408 152.3
[M+HCOO]- 356.95502 169.7
[M+CH3COO]- 370.97067 197.9
[M+Na-2H]- 332.93149 155.8
[M]+ 311.95627 173.2
[M]- 311.95737 173.2
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.