CID 5276246

2-hydroxy-5-[2-(2-methylanilino)thiazol-5-yl]benzamide

Structural Information

Molecular Formula
C17H15N3O2S
SMILES
CC1=CC=CC=C1NC2=NC=C(S2)C3=CC(=C(C=C3)O)C(=O)N
InChI
InChI=1S/C17H15N3O2S/c1-10-4-2-3-5-13(10)20-17-19-9-15(23-17)11-6-7-14(21)12(8-11)16(18)22/h2-9,21H,1H3,(H2,18,22)(H,19,20)
InChIKey
IRLLQHPWJJAGOM-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[2-(2-methylanilino)-1,3-thiazol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.0885 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.09578 173.6
[M+Na]+ 348.07772 181.8
[M-H]- 324.08122 181.5
[M+NH4]+ 343.12232 187.3
[M+K]+ 364.05166 175.5
[M+H-H2O]+ 308.08576 165.5
[M+HCOO]- 370.08670 192.3
[M+CH3COO]- 384.10235 184.5
[M+Na-2H]- 346.06317 173.4
[M]+ 325.08795 173.9
[M]- 325.08905 173.9
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.