CID 742616

N-(1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C17H16N2O4S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C17H16N2O4S/c1-21-12-8-10(9-13(22-2)15(12)23-3)16(20)19-17-18-11-6-4-5-7-14(11)24-17/h4-9H,1-3H3,(H,18,19,20)
InChIKey
DFIFBTUPLYZTQX-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.08307 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09035 177.4
[M+Na]+ 367.07229 187.4
[M-H]- 343.07579 185.1
[M+NH4]+ 362.11689 192.9
[M+K]+ 383.04623 183.7
[M+H-H2O]+ 327.08033 169.7
[M+HCOO]- 389.08127 197.5
[M+CH3COO]- 403.09692 211.8
[M+Na-2H]- 365.05774 179.8
[M]+ 344.08252 186.7
[M]- 344.08362 186.7
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.