CID 3074420

2-(5-methyl-2-thienyl)-3-(2-(((5-methyl-2-thienyl)methylene)amino)ethyl)-4-thiazolidinone

Structural Information

Molecular Formula
C16H18N2OS3
SMILES
CC1=CC=C(S1)C=NCCN2C(SCC2=O)C3=CC=C(S3)C
InChI
InChI=1S/C16H18N2OS3/c1-11-3-5-13(21-11)9-17-7-8-18-15(19)10-20-16(18)14-6-4-12(2)22-14/h3-6,9,16H,7-8,10H2,1-2H3
InChIKey
FAYYVBMZPFGIGF-UHFFFAOYSA-N
Compound name
2-(5-methylthiophen-2-yl)-3-[2-[(5-methylthiophen-2-yl)methylideneamino]ethyl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05814 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.065416 182.4
[M+Na]+ 373.047358 194.5
[M-H]- 349.050864 193.4
[M+NH4]+ 368.091963 202.0
[M+K]+ 389.021298 188.3
[M+H-H2O]+ 333.055400 177.9
[M+HCOO]- 395.056341 194.7
[M+CH3COO]- 409.071991 194.5
[M+Na-2H]- 371.032806 176.2
[M]+ 350.05759142 188.2
[M]- 350.05868858 188.2
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.