CID 5276254

5-[2-(2-amino-6-methyl-anilino)thiazol-5-yl]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CC1=C(C(=CC=C1)N)NC2=NC=C(S2)C3=CC(=C(C=C3)O)C(=O)N
InChI
InChI=1S/C17H16N4O2S/c1-9-3-2-4-12(18)15(9)21-17-20-8-14(24-17)10-5-6-13(22)11(7-10)16(19)23/h2-8,22H,18H2,1H3,(H2,19,23)(H,20,21)
InChIKey
KLQARFHLCVIYIA-UHFFFAOYSA-N
Compound name
5-[2-(2-amino-6-methylanilino)-1,3-thiazol-5-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.0994 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 177.0
[M+Na]+ 363.08862 185.0
[M-H]- 339.09212 184.6
[M+NH4]+ 358.13322 189.6
[M+K]+ 379.06256 178.5
[M+H-H2O]+ 323.09666 168.7
[M+HCOO]- 385.09760 196.0
[M+CH3COO]- 399.11325 187.3
[M+Na-2H]- 361.07407 176.1
[M]+ 340.09885 176.1
[M]- 340.09995 176.1
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.