CID 11820794

N-[(z)-[3-(4-ethoxyphenyl)-4-oxo-thiazolidin-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide

Structural Information

Molecular Formula
C17H17N5O4S
SMILES
CCOC1=CC=C(C=C1)N\2C(=O)CS/C2=N\NC(=O)COC3=NC=CN=C3
InChI
InChI=1S/C17H17N5O4S/c1-2-25-13-5-3-12(4-6-13)22-16(24)11-27-17(22)21-20-14(23)10-26-15-9-18-7-8-19-15/h3-9H,2,10-11H2,1H3,(H,20,23)/b21-17-
InChIKey
WVDDMMTWUBXCRY-FXBPSFAMSA-N
Compound name
N-[(Z)-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.10013 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10741 187.0
[M+Na]+ 410.08935 193.2
[M-H]- 386.09285 194.3
[M+NH4]+ 405.13395 196.3
[M+K]+ 426.06329 189.1
[M+H-H2O]+ 370.09739 176.3
[M+HCOO]- 432.09833 204.7
[M+CH3COO]- 446.11398 220.7
[M+Na-2H]- 408.07480 187.9
[M]+ 387.09958 190.6
[M]- 387.10068 190.6
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.