CID 37532

2-(2-hydroxyphenyl)-5-benzothiazoleacetic acid

Structural Information

Molecular Formula
C15H11NO3S
SMILES
C1=CC=C(C(=C1)C2=NC3=C(S2)C=CC(=C3)CC(=O)O)O
InChI
InChI=1S/C15H11NO3S/c17-12-4-2-1-3-10(12)15-16-11-7-9(8-14(18)19)5-6-13(11)20-15/h1-7,17H,8H2,(H,18,19)
InChIKey
DBDGIESKIDQGRA-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyphenyl)-1,3-benzothiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.04596 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05324 161.7
[M+Na]+ 308.03518 175.8
[M+NH4]+ 303.07978 169.9
[M+K]+ 324.00912 169.0
[M-H]- 284.03868 164.8
[M+Na-2H]- 306.02063 168.7
[M]+ 285.04541 165.1
[M]- 285.04651 165.1
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.