CID 11681176

N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide

Structural Information

Molecular Formula
C11H9BrN2O2S
SMILES
CC1=C(C(=CC=C1)C(=O)NC2=NC=C(S2)Br)O
InChI
InChI=1S/C11H9BrN2O2S/c1-6-3-2-4-7(9(6)15)10(16)14-11-13-5-8(12)17-11/h2-5,15H,1H3,(H,13,14,16)
InChIKey
ZNEBVPDLAHSKDD-UHFFFAOYSA-N
Compound name
N-(5-bromo-1,3-thiazol-2-yl)-2-hydroxy-3-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

311.95682 Da
Monoisotopic Mass

3.7
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

patents stripe