CID 11196223

746677-85-0

Structural Information

Molecular Formula
C14H13NO2S
SMILES
C1[C@H](NC(S1)C2=CC=CC3=CC=CC=C32)C(=O)O
InChI
InChI=1S/C14H13NO2S/c16-14(17)12-8-18-13(15-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-13,15H,8H2,(H,16,17)/t12-,13?/m0/s1
InChIKey
WSGHWUWDWJRTFR-UEWDXFNNSA-N
Compound name
(4R)-2-naphthalen-1-yl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

259.0667 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07398 155.9
[M+Na]+ 282.05592 167.6
[M+NH4]+ 277.10052 164.8
[M+K]+ 298.02986 161.1
[M-H]- 258.05942 158.9
[M+Na-2H]- 280.04137 161.4
[M]+ 259.06615 158.8
[M]- 259.06725 158.8
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

patents stripe