CID 3042630

Brn 1030663

Structural Information

Molecular Formula
C18H17NO4S
SMILES
CC1=CC(=C(C=C1)O)C2(N(C(=O)CS2)C3=CC=CC=C3C(=O)O)C
InChI
InChI=1S/C18H17NO4S/c1-11-7-8-15(20)13(9-11)18(2)19(16(21)10-24-18)14-6-4-3-5-12(14)17(22)23/h3-9,20H,10H2,1-2H3,(H,22,23)
InChIKey
QKPZUBHNLVRLHZ-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxy-5-methylphenyl)-2-methyl-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.08783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09511 178.5
[M+Na]+ 366.07705 190.5
[M+NH4]+ 361.12165 186.4
[M+K]+ 382.05099 183.1
[M-H]- 342.08055 181.8
[M+Na-2H]- 364.06250 185.7
[M]+ 343.08728 181.6
[M]- 343.08838 181.6
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

No patent data available for this compound.