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]+ 305.05908 168.5
[M+Na]+ 327.04102 174.8
[M-H]- 303.04452 174.3
[M+NH4]+ 322.08562 183.5
[M+K]+ 343.01496 172.1
[M+H-H2O]+ 287.04906 160.7
[M+HCOO]- 349.05000 186.6
[M+CH3COO]- 363.06565 201.9
[M+Na-2H]- 325.02647 168.0
[M]+ 304.05125 172.6
[M]- 304.05235 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.