CID 5276255

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

Structural Information

Molecular Formula
C14H16N2O2S
SMILES
CCCOC1=C(C=C(C=C1)C2=CN=C(S2)C)C(=O)N
InChI
InChI=1S/C14H16N2O2S/c1-3-6-18-12-5-4-10(7-11(12)14(15)17)13-8-16-9(2)19-13/h4-5,7-8H,3,6H2,1-2H3,(H2,15,17)
InChIKey
FAQUBVKLVMEYGC-UHFFFAOYSA-N
Compound name
5-(2-methyl-1,3-thiazol-5-yl)-2-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.09326 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10054 162.8
[M+Na]+ 299.08248 171.5
[M-H]- 275.08598 168.6
[M+NH4]+ 294.12708 179.8
[M+K]+ 315.05642 167.3
[M+H-H2O]+ 259.09052 155.5
[M+HCOO]- 321.09146 181.6
[M+CH3COO]- 335.10711 200.0
[M+Na-2H]- 297.06793 161.7
[M]+ 276.09271 166.6
[M]- 276.09381 166.6
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.