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]+ 260.03758 153.2
[M+Na]+ 282.01952 165.0
[M-H]- 258.02302 157.5
[M+NH4]+ 277.06412 173.1
[M+K]+ 297.99346 160.7
[M+H-H2O]+ 242.02756 147.8
[M+HCOO]- 304.02850 170.4
[M+CH3COO]- 318.04415 166.6
[M+Na-2H]- 280.00497 157.8
[M]+ 259.02975 159.9
[M]- 259.03085 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.