CID 484051

Pnu-178845

Structural Information

Molecular Formula
C21H14ClFN2O3
SMILES
C1=COC(=C1)C2=CC3=C(C(=C2)F)NC=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H14ClFN2O3/c22-14-5-3-12(4-6-14)10-25-21(27)16-11-24-19-15(20(16)26)8-13(9-17(19)23)18-2-1-7-28-18/h1-9,11H,10H2,(H,24,26)(H,25,27)
InChIKey
SWENDSYEBNYVPK-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-8-fluoro-6-(furan-2-yl)-4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.0677 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.07498 191.1
[M+Na]+ 419.05692 202.3
[M-H]- 395.06042 199.8
[M+NH4]+ 414.10152 202.3
[M+K]+ 435.03086 195.0
[M+H-H2O]+ 379.06496 181.5
[M+HCOO]- 441.06590 207.7
[M+CH3COO]- 455.08155 201.8
[M+Na-2H]- 417.04237 193.6
[M]+ 396.06715 195.3
[M]- 396.06825 195.3
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.