CID 3050896

2-(3,4-dimethoxyphenyl)thiazolidine

Structural Information

Molecular Formula
C11H15NO2S
SMILES
COC1=C(C=C(C=C1)C2NCCS2)OC
InChI
InChI=1S/C11H15NO2S/c1-13-9-4-3-8(7-10(9)14-2)11-12-5-6-15-11/h3-4,7,11-12H,5-6H2,1-2H3
InChIKey
SEBSCXLWNCIHNW-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

225.08235 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 148.8
[M+Na]+ 248.07157 156.5
[M-H]- 224.07507 153.1
[M+NH4]+ 243.11617 167.6
[M+K]+ 264.04551 153.2
[M+H-H2O]+ 208.07961 142.4
[M+HCOO]- 270.08055 164.8
[M+CH3COO]- 284.09620 183.7
[M+Na-2H]- 246.05702 149.1
[M]+ 225.08180 149.6
[M]- 225.08290 149.6
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

patents stripe