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]+ 315.07978 169.7
[M+Na]+ 337.06172 179.8
[M-H]- 313.06522 177.3
[M+NH4]+ 332.10632 186.4
[M+K]+ 353.03566 175.5
[M+H-H2O]+ 297.06976 162.2
[M+HCOO]- 359.07070 190.0
[M+CH3COO]- 373.08635 182.2
[M+Na-2H]- 335.04717 173.1
[M]+ 314.07195 176.9
[M]- 314.07305 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.