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 161.5
[M+Na]+ 308.03518 172.0
[M-H]- 284.03868 166.6
[M+NH4]+ 303.07978 178.3
[M+K]+ 324.00912 166.4
[M+H-H2O]+ 268.04322 155.2
[M+HCOO]- 330.04416 178.2
[M+CH3COO]- 344.05981 173.7
[M+Na-2H]- 306.02063 163.9
[M]+ 285.04541 165.5
[M]- 285.04651 165.5
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

patents stripe