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 189.8
[M+Na]+ 404.10394 195.9
[M-H]- 380.10744 198.8
[M+NH4]+ 399.14854 201.6
[M+K]+ 420.07788 190.9
[M+H-H2O]+ 364.11198 180.5
[M+HCOO]- 426.11292 209.0
[M+CH3COO]- 440.12857 220.4
[M+Na-2H]- 402.08939 189.3
[M]+ 381.11417 193.3
[M]- 381.11527 193.3
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.