CID 49768023

2-(4-dimethylaminophenyl)-3-(2-furylmethyl)thiazolidin-4-one

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CO3
InChI
InChI=1S/C16H18N2O2S/c1-17(2)13-7-5-12(6-8-13)16-18(15(19)11-21-16)10-14-4-3-9-20-14/h3-9,16H,10-11H2,1-2H3
InChIKey
AVJCHTZTTMZQRH-UHFFFAOYSA-N
Compound name
2-[4-(dimethylamino)phenyl]-3-(furan-2-ylmethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.1089 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 170.5
[M+Na]+ 325.09812 178.5
[M-H]- 301.10162 181.9
[M+NH4]+ 320.14272 187.7
[M+K]+ 341.07206 176.6
[M+H-H2O]+ 285.10616 163.6
[M+HCOO]- 347.10710 189.7
[M+CH3COO]- 361.12275 183.1
[M+Na-2H]- 323.08357 168.4
[M]+ 302.10835 174.3
[M]- 302.10945 174.3
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

No patent data available for this compound.