CID 478759

Chembl40936

Structural Information

Molecular Formula
C20H14FN3O3
SMILES
CC1=NOC(=C1)C2=CC3=C(C=C2)C(=O)C(=CN3C4=CC=C(C=C4)F)C(=O)N
InChI
InChI=1S/C20H14FN3O3/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
VQOBFKSJHNGXJQ-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-7-(3-methyl-1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

363.10193 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10921 185.3
[M+Na]+ 386.09115 197.4
[M-H]- 362.09465 194.3
[M+NH4]+ 381.13575 196.1
[M+K]+ 402.06509 191.9
[M+H-H2O]+ 346.09919 174.5
[M+HCOO]- 408.10013 206.2
[M+CH3COO]- 422.11578 196.7
[M+Na-2H]- 384.07660 187.3
[M]+ 363.10138 188.4
[M]- 363.10248 188.4
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.