CID 3076195

Brn 4753460

Structural Information

Molecular Formula
C13H10N2O3S
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=NC=CS2
InChI
InChI=1S/C13H10N2O3S/c16-10(9-4-2-1-3-5-9)8-11(17)12(18)15-13-14-6-7-19-13/h1-7H,8H2,(H,14,15,18)
InChIKey
JYPLMKAUCGHIJR-UHFFFAOYSA-N
Compound name
2,4-dioxo-4-phenyl-N-(1,3-thiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0412 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04848 160.2
[M+Na]+ 297.03042 169.8
[M+NH4]+ 292.07502 166.7
[M+K]+ 313.00436 165.0
[M-H]- 273.03392 162.0
[M+Na-2H]- 295.01587 166.1
[M]+ 274.04065 162.2
[M]- 274.04175 162.2
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.