CID 788951

N-(1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide

Structural Information

Molecular Formula
C16H14N2O3S
SMILES
COC1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3S2)OC
InChI
InChI=1S/C16H14N2O3S/c1-20-11-7-10(8-12(9-11)21-2)15(19)18-16-17-13-5-3-4-6-14(13)22-16/h3-9H,1-2H3,(H,17,18,19)
InChIKey
IVBUOKQFCHNHRN-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.0725 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.079776 169.7
[M+Na]+ 337.061718 179.8
[M-H]- 313.065224 177.3
[M+NH4]+ 332.106323 186.4
[M+K]+ 353.035658 175.5
[M+H-H2O]+ 297.069760 162.2
[M+HCOO]- 359.070701 190.0
[M+CH3COO]- 373.086351 182.2
[M+Na-2H]- 335.047166 173.1
[M]+ 314.07195142 176.9
[M]- 314.07304858 176.9
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.