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]+ 299.08488 166.2
[M+Na]+ 321.06682 175.8
[M-H]- 297.07032 173.5
[M+NH4]+ 316.11142 183.4
[M+K]+ 337.04076 170.8
[M+H-H2O]+ 281.07486 158.7
[M+HCOO]- 343.07580 186.4
[M+CH3COO]- 357.09145 178.6
[M+Na-2H]- 319.05227 170.1
[M]+ 298.07705 171.6
[M]- 298.07815 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.