CID 484045

Schembl6200398

Structural Information

Molecular Formula
C20H18ClFN2O3
SMILES
C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3F)CCCO)Cl
InChI
InChI=1S/C20H18ClFN2O3/c21-14-5-3-12(4-6-14)10-24-20(27)16-11-23-18-15(19(16)26)8-13(2-1-7-25)9-17(18)22/h3-6,8-9,11,25H,1-2,7,10H2,(H,23,26)(H,24,27)
InChIKey
LWFZOUPESAMEFY-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-8-fluoro-6-(3-hydroxypropyl)-4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

388.099 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.10628 188.1
[M+Na]+ 411.08822 197.0
[M-H]- 387.09172 190.6
[M+NH4]+ 406.13282 198.8
[M+K]+ 427.06216 188.7
[M+H-H2O]+ 371.09626 179.1
[M+HCOO]- 433.09720 201.1
[M+CH3COO]- 447.11285 217.9
[M+Na-2H]- 409.07367 190.0
[M]+ 388.09845 189.7
[M]- 388.09955 189.7
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

patents stripe