CID 3057270

Acetic acid, 2-benzamido-2-(4-oxo-2-thiazolidinylidene)-, ethyl ester

Structural Information

Molecular Formula
C14H14N2O4S
SMILES
CCOC(=O)/C(=C/1\NC(=O)CS1)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O4S/c1-2-20-14(19)11(13-15-10(17)8-21-13)16-12(18)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,17)(H,16,18)/b13-11-
InChIKey
VDIOMSWYDVHAHB-QBFSEMIESA-N
Compound name
ethyl (2Z)-2-benzamido-2-(4-oxo-1,3-thiazolidin-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0674 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 169.5
[M+Na]+ 329.05662 176.3
[M+NH4]+ 324.10122 174.5
[M+K]+ 345.03056 172.8
[M-H]- 305.06012 169.6
[M+Na-2H]- 327.04207 172.1
[M]+ 306.06685 170.3
[M]- 306.06795 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.