CID 2307564

2-(1,3-benzothiazol-2-yl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C17H10N2O2S
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=NC4=CC=CC=C4S3)C(=O)O
InChI
InChI=1S/C17H10N2O2S/c20-17(21)11-9-14(18-12-6-2-1-5-10(11)12)16-19-13-7-3-4-8-15(13)22-16/h1-9H,(H,20,21)
InChIKey
PJSNDFWBSLYBJB-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0463 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.05358 166.9
[M+Na]+ 329.03552 178.7
[M-H]- 305.03902 172.9
[M+NH4]+ 324.08012 183.1
[M+K]+ 345.00946 172.2
[M+H-H2O]+ 289.04356 159.6
[M+HCOO]- 351.04450 182.8
[M+CH3COO]- 365.06015 179.0
[M+Na-2H]- 327.02097 171.6
[M]+ 306.04575 171.4
[M]- 306.04685 171.4
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.