CID 135542189

Ethyl 2-[2-[(z)-(4-oxothiazolidin-2-ylidene)amino]thiazol-4-yl]acetate

Structural Information

Molecular Formula
C10H11N3O3S2
SMILES
CCOC(=O)CC1=CSC(=N1)/N=C\2/NC(=O)CS2
InChI
InChI=1S/C10H11N3O3S2/c1-2-16-8(15)3-6-4-17-9(11-6)13-10-12-7(14)5-18-10/h4H,2-3,5H2,1H3,(H,11,12,13,14)
InChIKey
STDMHFPJJSZRFG-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[(Z)-(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

285.02417 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03145 162.9
[M+Na]+ 308.01339 171.3
[M-H]- 284.01689 167.5
[M+NH4]+ 303.05799 180.2
[M+K]+ 323.98733 167.6
[M+H-H2O]+ 268.02143 156.7
[M+HCOO]- 330.02237 175.5
[M+CH3COO]- 344.03802 195.0
[M+Na-2H]- 305.99884 159.6
[M]+ 285.02362 165.6
[M]- 285.02472 165.6
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.