CID 37535

2-phenyl-6-benzothiazoleacetic acid

Structural Information

Molecular Formula
C15H11NO2S
SMILES
C1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)CC(=O)O
InChI
InChI=1S/C15H11NO2S/c17-14(18)9-10-6-7-12-13(8-10)19-15(16-12)11-4-2-1-3-5-11/h1-8H,9H2,(H,17,18)
InChIKey
DGIRRQAONAAJCV-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-benzothiazol-6-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.05106 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05834 157.7
[M+Na]+ 292.04028 172.6
[M+NH4]+ 287.08488 166.9
[M+K]+ 308.01422 164.8
[M-H]- 268.04378 161.8
[M+Na-2H]- 290.02573 166.1
[M]+ 269.05051 161.6
[M]- 269.05161 161.6
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

patents stripe