CID 803176

4-ethoxy-n-(1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CCOC1=CC=C(C=C1)C(=O)NC2=NC=CS2
InChI
InChI=1S/C12H12N2O2S/c1-2-16-10-5-3-9(4-6-10)11(15)14-12-13-7-8-17-12/h3-8H,2H2,1H3,(H,13,14,15)
InChIKey
LJEWEQSEYGLEFC-UHFFFAOYSA-N
Compound name
4-ethoxy-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

248.06195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.069226 154.0
[M+Na]+ 271.051168 161.9
[M-H]- 247.054674 159.9
[M+NH4]+ 266.095773 171.9
[M+K]+ 287.025108 158.6
[M+H-H2O]+ 231.059210 146.5
[M+HCOO]- 293.060151 174.2
[M+CH3COO]- 307.075801 191.6
[M+Na-2H]- 269.036616 156.2
[M]+ 248.06140142 157.2
[M]- 248.06249858 157.2
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

patents stripe