CID 5276256

5-(2-aminothiazol-5-yl)-2-propoxy-benzamide

Structural Information

Molecular Formula
C13H15N3O2S
SMILES
CCCOC1=C(C=C(C=C1)C2=CN=C(S2)N)C(=O)N
InChI
InChI=1S/C13H15N3O2S/c1-2-5-18-10-4-3-8(6-9(10)12(14)17)11-7-16-13(15)19-11/h3-4,6-7H,2,5H2,1H3,(H2,14,17)(H2,15,16)
InChIKey
YXBJRDVQEWCNMT-UHFFFAOYSA-N
Compound name
5-(2-amino-1,3-thiazol-5-yl)-2-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.0885 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09578 161.9
[M+Na]+ 300.07772 169.9
[M-H]- 276.08122 167.1
[M+NH4]+ 295.12232 178.1
[M+K]+ 316.05166 165.5
[M+H-H2O]+ 260.08576 154.2
[M+HCOO]- 322.08670 181.2
[M+CH3COO]- 336.10235 201.6
[M+Na-2H]- 298.06317 161.0
[M]+ 277.08795 163.5
[M]- 277.08905 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.