CID 811774

31792-49-1

Structural Information

Molecular Formula
C15H11NO2S
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=CS3
InChI
InChI=1S/C15H11NO2S/c1-9-4-5-12-10(7-9)11(15(17)18)8-13(16-12)14-3-2-6-19-14/h2-8H,1H3,(H,17,18)
InChIKey
YZQFSFCRQKKUEN-UHFFFAOYSA-N
Compound name
6-methyl-2-thiophen-2-ylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

269.05106 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05834 158.0
[M+Na]+ 292.04028 173.3
[M+NH4]+ 287.08488 167.2
[M+K]+ 308.01422 165.6
[M-H]- 268.04378 162.2
[M+Na-2H]- 290.02573 166.1
[M]+ 269.05051 162.0
[M]- 269.05161 162.0
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