CID 5276248

5-[2-(4-bromoanilino)thiazol-5-yl]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C16H12BrN3O2S
SMILES
C1=CC(=CC=C1NC2=NC=C(S2)C3=CC(=C(C=C3)O)C(=O)N)Br
InChI
InChI=1S/C16H12BrN3O2S/c17-10-2-4-11(5-3-10)20-16-19-8-14(23-16)9-1-6-13(21)12(7-9)15(18)22/h1-8,21H,(H2,18,22)(H,19,20)
InChIKey
YETYNLBQEOLMSH-UHFFFAOYSA-N
Compound name
5-[2-(4-bromoanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.98337 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.99065 172.2
[M+Na]+ 411.97259 183.4
[M-H]- 387.97609 182.3
[M+NH4]+ 407.01719 187.2
[M+K]+ 427.94653 169.3
[M+H-H2O]+ 371.98063 170.2
[M+HCOO]- 433.98157 189.1
[M+CH3COO]- 447.99722 184.8
[M+Na-2H]- 409.95804 174.3
[M]+ 388.98282 190.7
[M]- 388.98392 190.7
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.