CID 478760

Chembl42058

Structural Information

Molecular Formula
C20H14FN3O2S
SMILES
CC1=NSC(=C1)C2=CC3=C(C=C2)C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)N
InChI
InChI=1S/C20H14FN3O2S/c1-11-8-18(27-23-11)12-2-7-15-17(9-12)24(10-16(19(15)25)20(22)26)14-5-3-13(21)4-6-14/h2-10H,1H3,(H2,22,26)
InChIKey
ZVXRCJZGSVAVIZ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-7-(3-methyl-1,2-thiazol-5-yl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

379.07907 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.08635 187.7
[M+Na]+ 402.06829 200.3
[M-H]- 378.07179 196.0
[M+NH4]+ 397.11289 200.2
[M+K]+ 418.04223 192.4
[M+H-H2O]+ 362.07633 178.0
[M+HCOO]- 424.07727 204.8
[M+CH3COO]- 438.09292 198.8
[M+Na-2H]- 400.05374 187.5
[M]+ 379.07852 191.4
[M]- 379.07962 191.4
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

No patent data available for this compound.