CID 28212328

(4r)-3-(1h-indole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H12N2O3S
SMILES
C1[C@H](N(CS1)C(=O)C2=CNC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C13H12N2O3S/c16-12(15-7-19-6-11(15)13(17)18)9-5-14-10-4-2-1-3-8(9)10/h1-5,11,14H,6-7H2,(H,17,18)/t11-/m0/s1
InChIKey
AYPPMYKDLKFPBI-NSHDSACASA-N
Compound name
(4R)-3-(1H-indole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05685 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.064126 161.4
[M+Na]+ 299.046068 169.9
[M-H]- 275.049574 164.9
[M+NH4]+ 294.090673 178.7
[M+K]+ 315.020008 165.7
[M+H-H2O]+ 259.054110 155.6
[M+HCOO]- 321.055051 174.7
[M+CH3COO]- 335.070701 172.5
[M+Na-2H]- 297.031516 159.6
[M]+ 276.05630142 161.8
[M]- 276.05739858 161.8
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.