CID 5276257

5-(2-anilinothiazol-5-yl)-2-propoxy-benzamide

Structural Information

Molecular Formula
C19H19N3O2S
SMILES
CCCOC1=C(C=C(C=C1)C2=CN=C(S2)NC3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C19H19N3O2S/c1-2-10-24-16-9-8-13(11-15(16)18(20)23)17-12-21-19(25-17)22-14-6-4-3-5-7-14/h3-9,11-12H,2,10H2,1H3,(H2,20,23)(H,21,22)
InChIKey
SNBOBOGEKJCDRO-UHFFFAOYSA-N
Compound name
5-(2-anilino-1,3-thiazol-5-yl)-2-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.1198 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.127076 182.0
[M+Na]+ 376.109018 188.8
[M-H]- 352.112524 190.4
[M+NH4]+ 371.153623 194.9
[M+K]+ 392.082958 182.9
[M+H-H2O]+ 336.117060 172.8
[M+HCOO]- 398.118001 201.6
[M+CH3COO]- 412.133651 215.9
[M+Na-2H]- 374.094466 181.9
[M]+ 353.11925142 184.2
[M]- 353.12034858 184.2
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.