CID 483134

1-ethyl-4-oxo-7-[2-(4-pyridyl)thiazol-4-yl]quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C20H15N3O3S
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=NC=C4)C(=O)O
InChI
InChI=1S/C20H15N3O3S/c1-2-23-10-15(20(25)26)18(24)14-4-3-13(9-17(14)23)16-11-27-19(22-16)12-5-7-21-8-6-12/h3-11H,2H2,1H3,(H,25,26)
InChIKey
NAZQUHBBKCJRHE-UHFFFAOYSA-N
Compound name
1-ethyl-4-oxo-7-(2-pyridin-4-yl-1,3-thiazol-4-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.0834 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09068 187.8
[M+Na]+ 400.07262 199.7
[M-H]- 376.07612 195.1
[M+NH4]+ 395.11722 198.6
[M+K]+ 416.04656 192.3
[M+H-H2O]+ 360.08066 178.7
[M+HCOO]- 422.08160 203.0
[M+CH3COO]- 436.09725 198.4
[M+Na-2H]- 398.05807 188.7
[M]+ 377.08285 193.5
[M]- 377.08395 193.5
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.