CID 3070639

Brn 5579485

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
CC(=O)NC1=C(C=C(C=C1)CC2C(=O)NC(=O)S2)OC
InChI
InChI=1S/C13H14N2O4S/c1-7(16)14-9-4-3-8(5-10(9)19-2)6-11-12(17)15-13(18)20-11/h3-5,11H,6H2,1-2H3,(H,14,16)(H,15,17,18)
InChIKey
RVBOWRUPSKOCJS-UHFFFAOYSA-N
Compound name
N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0674 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07468 167.1
[M+Na]+ 317.05662 175.9
[M+NH4]+ 312.10122 172.8
[M+K]+ 333.03056 171.5
[M-H]- 293.06012 168.1
[M+Na-2H]- 315.04207 169.9
[M]+ 294.06685 168.6
[M]- 294.06795 168.6
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.