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]+ 295.074676 165.1
[M+Na]+ 317.056618 172.6
[M-H]- 293.060124 169.7
[M+NH4]+ 312.101223 180.7
[M+K]+ 333.030558 168.6
[M+H-H2O]+ 277.064660 158.4
[M+HCOO]- 339.065601 181.1
[M+CH3COO]- 353.081251 199.3
[M+Na-2H]- 315.042066 163.1
[M]+ 294.06685142 166.6
[M]- 294.06794858 166.6
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.