CID 484050

Schembl6199189

Structural Information

Molecular Formula
C22H15ClFN3O2
SMILES
C1=CC=NC(=C1)C2=CC3=C(C(=C2)F)NC=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H15ClFN3O2/c23-15-6-4-13(5-7-15)11-27-22(29)17-12-26-20-16(21(17)28)9-14(10-18(20)24)19-3-1-2-8-25-19/h1-10,12H,11H2,(H,26,28)(H,27,29)
InChIKey
NTJAJERVTTWKEI-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-6-pyridin-2-yl-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

407.08368 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.09096 194.3
[M+Na]+ 430.07290 204.0
[M-H]- 406.07640 199.8
[M+NH4]+ 425.11750 202.8
[M+K]+ 446.04684 194.7
[M+H-H2O]+ 390.08094 182.6
[M+HCOO]- 452.08188 207.6
[M+CH3COO]- 466.09753 203.0
[M+Na-2H]- 428.05835 198.0
[M]+ 407.08313 194.8
[M]- 407.08423 194.8
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