CID 3377241

294675-79-9

Structural Information

Molecular Formula
C14H16N2O3S
SMILES
CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=O)S2)CCN
InChI
InChI=1S/C14H16N2O3S/c1-2-19-11-5-3-10(4-6-11)9-12-13(17)16(8-7-15)14(18)20-12/h3-6,9H,2,7-8,15H2,1H3
InChIKey
NBJOUCGADPALIB-UHFFFAOYSA-N
Compound name
3-(2-aminoethyl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
Patents

292.08817 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.095446 166.6
[M+Na]+ 315.077388 174.7
[M-H]- 291.080894 171.8
[M+NH4]+ 310.121993 182.9
[M+K]+ 331.051328 169.8
[M+H-H2O]+ 275.085430 159.4
[M+HCOO]- 337.086371 184.0
[M+CH3COO]- 351.102021 201.0
[M+Na-2H]- 313.062836 164.2
[M]+ 292.08762142 168.4
[M]- 292.08871858 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe