CID 484056

Schembl6198881

Structural Information

Molecular Formula
C18H14ClFN2O3
SMILES
C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3F)CO)Cl
InChI
InChI=1S/C18H14ClFN2O3/c19-12-3-1-10(2-4-12)7-22-18(25)14-8-21-16-13(17(14)24)5-11(9-23)6-15(16)20/h1-6,8,23H,7,9H2,(H,21,24)(H,22,25)
InChIKey
QMYGMFCJUNLCIN-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-8-fluoro-6-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

360.0677 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07498 179.0
[M+Na]+ 383.05692 188.9
[M-H]- 359.06042 182.0
[M+NH4]+ 378.10152 190.9
[M+K]+ 399.03086 181.0
[M+H-H2O]+ 343.06496 170.5
[M+HCOO]- 405.06590 192.8
[M+CH3COO]- 419.08155 212.0
[M+Na-2H]- 381.04237 182.1
[M]+ 360.06715 180.0
[M]- 360.06825 180.0
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