CID 2861871

2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid

Structural Information

Molecular Formula
C14H13NO2S
SMILES
CC1CC2=C(N=C3C=CC(=CC3=C2S1)C(=O)O)C
InChI
InChI=1S/C14H13NO2S/c1-7-5-10-8(2)15-12-4-3-9(14(16)17)6-11(12)13(10)18-7/h3-4,6-7H,5H2,1-2H3,(H,16,17)
InChIKey
NTACNXAPWZLEEF-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2,3-dihydrothieno[3,2-c]quinoline-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

259.0667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07398 156.5
[M+Na]+ 282.05592 169.4
[M+NH4]+ 277.10052 165.8
[M+K]+ 298.02986 162.6
[M-H]- 258.05942 158.6
[M+Na-2H]- 280.04137 160.2
[M]+ 259.06615 159.4
[M]- 259.06725 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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