CID 135542190

4-thiazoleacetic acid, 2-[[(2z)-5-methyl-4-oxo-2-thiazolidinylidene]amino]-, ethyl ester

Structural Information

Molecular Formula
C11H13N3O3S2
SMILES
CCOC(=O)CC1=CSC(=N1)/N=C\2/NC(=O)C(S2)C
InChI
InChI=1S/C11H13N3O3S2/c1-3-17-8(15)4-7-5-18-10(12-7)14-11-13-9(16)6(2)19-11/h5-6H,3-4H2,1-2H3,(H,12,13,14,16)
InChIKey
ZJIQFIOYIMBDSS-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(Z)-(5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.03983 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04711 167.0
[M+Na]+ 322.02905 175.6
[M-H]- 298.03255 171.7
[M+NH4]+ 317.07365 183.9
[M+K]+ 338.00299 171.7
[M+H-H2O]+ 282.03709 160.8
[M+HCOO]- 344.03803 179.1
[M+CH3COO]- 358.05368 199.0
[M+Na-2H]- 320.01450 162.6
[M]+ 299.03928 170.3
[M]- 299.04038 170.3
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.