CID 71543007

1428450-95-6

Structural Information

Molecular Formula
C13H14N2O3S
SMILES
CC(C)C(=O)NC1=NC(=CS1)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C13H14N2O3S/c1-7(2)12(18)15-13-14-10(6-19-13)9-4-3-8(16)5-11(9)17/h3-7,16-17H,1-2H3,(H,14,15,18)
InChIKey
WIDNAJNXDPHROL-UHFFFAOYSA-N
Compound name
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

288
Patents

278.0725 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07978 162.6
[M+Na]+ 301.06172 172.4
[M+NH4]+ 296.10632 169.1
[M+K]+ 317.03566 168.2
[M-H]- 277.06522 164.3
[M+Na-2H]- 299.04717 167.1
[M]+ 278.07195 164.6
[M]- 278.07305 164.6
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