CID 107457

Acetamide, n-[(3-ethyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-n-phenyl-

Structural Information

Molecular Formula
C14H14N2O2S2
SMILES
CCN1C(=O)C(=CN(C2=CC=CC=C2)C(=O)C)SC1=S
InChI
InChI=1S/C14H14N2O2S2/c1-3-15-13(18)12(20-14(15)19)9-16(10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKey
UDXOKJLPZXUYPU-UHFFFAOYSA-N
Compound name
N-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

306.04968 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05696 170.1
[M+Na]+ 329.03890 179.4
[M+NH4]+ 324.08350 177.3
[M+K]+ 345.01284 171.6
[M-H]- 305.04240 172.7
[M+Na-2H]- 327.02435 173.7
[M]+ 306.04913 172.8
[M]- 306.05023 172.8
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

patents stripe