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]+ 277.100536 162.8
[M+Na]+ 299.082478 171.5
[M-H]- 275.085984 168.6
[M+NH4]+ 294.127083 179.8
[M+K]+ 315.056418 167.3
[M+H-H2O]+ 259.090520 155.5
[M+HCOO]- 321.091461 181.6
[M+CH3COO]- 335.107111 200.0
[M+Na-2H]- 297.067926 161.7
[M]+ 276.09271142 166.6
[M]- 276.09380858 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

literature stripe

Patent stripe

No patent data available for this compound.