CID 483135

1-ethyl-4-oxo-7-(2-phenylthiazol-4-yl)quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C21H16N2O3S
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C21H16N2O3S/c1-2-23-11-16(21(25)26)19(24)15-9-8-14(10-18(15)23)17-12-27-20(22-17)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,25,26)
InChIKey
ICPRKSDMLCUWOZ-UHFFFAOYSA-N
Compound name
1-ethyl-4-oxo-7-(2-phenyl-1,3-thiazol-4-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.08817 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09545 188.1
[M+Na]+ 399.07739 199.5
[M-H]- 375.08089 196.5
[M+NH4]+ 394.12199 200.2
[M+K]+ 415.05133 192.3
[M+H-H2O]+ 359.08543 179.4
[M+HCOO]- 421.08637 204.3
[M+CH3COO]- 435.10202 199.0
[M+Na-2H]- 397.06284 188.5
[M]+ 376.08762 193.7
[M]- 376.08872 193.7
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.