CID 606801

3,4,5-trimethoxy-n-(1,3-thiazol-2-yl)benzamide

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NC=CS2
InChI
InChI=1S/C13H14N2O4S/c1-17-9-6-8(7-10(18-2)11(9)19-3)12(16)15-13-14-4-5-20-13/h4-7H,1-3H3,(H,14,15,16)
InChIKey
XSAYHNGEJLPKEX-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

294.0674 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.074676 164.3
[M+Na]+ 317.056618 172.9
[M-H]- 293.060124 170.8
[M+NH4]+ 312.101223 180.7
[M+K]+ 333.030558 170.5
[M+H-H2O]+ 277.064660 156.8
[M+HCOO]- 339.065601 184.5
[M+CH3COO]- 353.081251 201.2
[M+Na-2H]- 315.042066 165.1
[M]+ 294.06685142 171.4
[M]- 294.06794858 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.