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 165.1
[M+Na]+ 317.05662 172.6
[M-H]- 293.06012 169.7
[M+NH4]+ 312.10122 180.7
[M+K]+ 333.03056 168.6
[M+H-H2O]+ 277.06466 158.4
[M+HCOO]- 339.06560 181.1
[M+CH3COO]- 353.08125 199.3
[M+Na-2H]- 315.04207 163.1
[M]+ 294.06685 166.6
[M]- 294.06795 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.