CID 673613

N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide

Structural Information

Molecular Formula
C16H14N2O2S
SMILES
CCOC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H14N2O2S/c1-2-20-12-9-7-11(8-10-12)15(19)18-16-17-13-5-3-4-6-14(13)21-16/h3-10H,2H2,1H3,(H,17,18,19)
InChIKey
UQAGFMKLHGHQIQ-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-4-ethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0776 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.084876 166.2
[M+Na]+ 321.066818 175.8
[M-H]- 297.070324 173.5
[M+NH4]+ 316.111423 183.4
[M+K]+ 337.040758 170.8
[M+H-H2O]+ 281.074860 158.7
[M+HCOO]- 343.075801 186.4
[M+CH3COO]- 357.091451 178.6
[M+Na-2H]- 319.052266 170.1
[M]+ 298.07705142 171.6
[M]- 298.07814858 171.6
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.