CID 6610557

(4r)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C12H15NO4S
SMILES
COC1=CC(=C(C=C1)C2N[C@@H](CS2)C(=O)O)OC
InChI
InChI=1S/C12H15NO4S/c1-16-7-3-4-8(10(5-7)17-2)11-13-9(6-18-11)12(14)15/h3-5,9,11,13H,6H2,1-2H3,(H,14,15)/t9-,11?/m0/s1
InChIKey
GXPHSEXJDZAWQX-FTNKSUMCSA-N
Compound name
(4R)-2-(2,4-dimethoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.07217 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 158.9
[M+Na]+ 292.06139 165.9
[M-H]- 268.06489 162.0
[M+NH4]+ 287.10599 175.0
[M+K]+ 308.03533 162.6
[M+H-H2O]+ 252.06943 152.7
[M+HCOO]- 314.07037 172.5
[M+CH3COO]- 328.08602 189.8
[M+Na-2H]- 290.04684 156.9
[M]+ 269.07162 160.1
[M]- 269.07272 160.1
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.