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]+ 295.07468 164.3
[M+Na]+ 317.05662 172.9
[M-H]- 293.06012 170.8
[M+NH4]+ 312.10122 180.7
[M+K]+ 333.03056 170.5
[M+H-H2O]+ 277.06466 156.8
[M+HCOO]- 339.06560 184.5
[M+CH3COO]- 353.08125 201.2
[M+Na-2H]- 315.04207 165.1
[M]+ 294.06685 171.4
[M]- 294.06795 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.