CID 778245

7-methoxythieno[2,3-b]quinoline-2-carboxylic acid

Structural Information

Molecular Formula
C13H9NO3S
SMILES
COC1=CC2=NC3=C(C=C2C=C1)C=C(S3)C(=O)O
InChI
InChI=1S/C13H9NO3S/c1-17-9-3-2-7-4-8-5-11(13(15)16)18-12(8)14-10(7)6-9/h2-6H,1H3,(H,15,16)
InChIKey
FBYCIVDGRKVDGV-UHFFFAOYSA-N
Compound name
7-methoxythieno[2,3-b]quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0303 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.037576 153.2
[M+Na]+ 282.019518 165.0
[M-H]- 258.023024 157.5
[M+NH4]+ 277.064123 173.1
[M+K]+ 297.993458 160.7
[M+H-H2O]+ 242.027560 147.8
[M+HCOO]- 304.028501 170.4
[M+CH3COO]- 318.044151 166.6
[M+Na-2H]- 280.004966 157.8
[M]+ 259.02975142 159.9
[M]- 259.03084858 159.9
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.