CID 5276258

5-[2-(4-methylanilino)thiazol-5-yl]-2-propoxy-benzamide

Structural Information

Molecular Formula
C20H21N3O2S
SMILES
CCCOC1=C(C=C(C=C1)C2=CN=C(S2)NC3=CC=C(C=C3)C)C(=O)N
InChI
InChI=1S/C20H21N3O2S/c1-3-10-25-17-9-6-14(11-16(17)19(21)24)18-12-22-20(26-18)23-15-7-4-13(2)5-8-15/h4-9,11-12H,3,10H2,1-2H3,(H2,21,24)(H,22,23)
InChIKey
IXALTNXDWKDZRJ-UHFFFAOYSA-N
Compound name
5-[2-(4-methylanilino)-1,3-thiazol-5-yl]-2-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.13544 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14272 186.9
[M+Na]+ 390.12466 194.1
[M-H]- 366.12816 195.5
[M+NH4]+ 385.16926 199.5
[M+K]+ 406.09860 188.1
[M+H-H2O]+ 350.13270 177.8
[M+HCOO]- 412.13364 206.1
[M+CH3COO]- 426.14929 220.1
[M+Na-2H]- 388.11011 185.6
[M]+ 367.13489 189.9
[M]- 367.13599 189.9
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.