CID 32945

Brn 1164396

Structural Information

Molecular Formula
C20H19N3O3S
SMILES
CCOC1=CC=C(C=C1)NC(=O)C2=C(SN=C2C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H19N3O3S/c1-3-26-16-11-9-15(10-12-16)21-19(25)17-13(2)23-27-20(17)22-18(24)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3,(H,21,25)(H,22,24)
InChIKey
GHQGBVSKUDECJR-UHFFFAOYSA-N
Compound name
5-benzamido-N-(4-ethoxyphenyl)-3-methyl-1,2-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.11472 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12200 189.5
[M+Na]+ 404.10394 200.8
[M+NH4]+ 399.14854 195.9
[M+K]+ 420.07788 194.2
[M-H]- 380.10744 194.9
[M+Na-2H]- 402.08939 197.5
[M]+ 381.11417 192.9
[M]- 381.11527 192.9
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.