CID 3076199

Brn 4758619

Structural Information

Molecular Formula
C14H12N2O4S
SMILES
COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=NC=CS2
InChI
InChI=1S/C14H12N2O4S/c1-20-10-4-2-9(3-5-10)11(17)8-12(18)13(19)16-14-15-6-7-21-14/h2-7H,8H2,1H3,(H,15,16,19)
InChIKey
FMPONECMWSJOOH-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0518 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.059076 168.5
[M+Na]+ 327.041018 174.8
[M-H]- 303.044524 174.3
[M+NH4]+ 322.085623 183.5
[M+K]+ 343.014958 172.1
[M+H-H2O]+ 287.049060 160.7
[M+HCOO]- 349.050001 186.6
[M+CH3COO]- 363.065651 201.9
[M+Na-2H]- 325.026466 168.0
[M]+ 304.05125142 172.6
[M]- 304.05234858 172.6
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.