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
2
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 169.6
[M+Na]+ 329.03890 177.3
[M-H]- 305.04240 176.2
[M+NH4]+ 324.08350 186.2
[M+K]+ 345.01284 172.2
[M+H-H2O]+ 289.04694 162.7
[M+HCOO]- 351.04788 181.3
[M+CH3COO]- 365.06353 205.3
[M+Na-2H]- 327.02435 165.5
[M]+ 306.04913 171.5
[M]- 306.05023 171.5
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