CID 382375

Nsc669933

Structural Information

Molecular Formula
C15H16N2O4S2
SMILES
CCOC(=O)C1=C(SC(=N1)SC)NC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H16N2O4S2/c1-4-21-14(19)11-13(23-15(16-11)22-3)17-12(18)9-5-7-10(20-2)8-6-9/h5-8H,4H2,1-3H3,(H,17,18)
InChIKey
PGZFOBXINYQNEF-UHFFFAOYSA-N
Compound name
ethyl 5-[(4-methoxybenzoyl)amino]-2-methylsulfanyl-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.05515 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06243 179.1
[M+Na]+ 375.04437 186.7
[M-H]- 351.04787 184.8
[M+NH4]+ 370.08897 193.2
[M+K]+ 391.01831 182.3
[M+H-H2O]+ 335.05241 171.8
[M+HCOO]- 397.05335 192.0
[M+CH3COO]- 411.06900 210.8
[M+Na-2H]- 373.02982 176.7
[M]+ 352.05460 186.3
[M]- 352.05570 186.3
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.