CID 478717

Chembl296309

Structural Information

Molecular Formula
C21H15FN4O2
SMILES
C1=CC(=CC=C1N2C3=C(C=CC(=C3)C4=CC=NC=C4)C(=O)C(=C2N)C(=O)N)F
InChI
InChI=1S/C21H15FN4O2/c22-14-2-4-15(5-3-14)26-17-11-13(12-7-9-25-10-8-12)1-6-16(17)19(27)18(20(26)23)21(24)28/h1-11H,23H2,(H2,24,28)
InChIKey
YCPHWKVVKDFNGI-UHFFFAOYSA-N
Compound name
2-amino-1-(4-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

374.1179 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12518 190.1
[M+Na]+ 397.10712 200.0
[M-H]- 373.11062 196.9
[M+NH4]+ 392.15172 199.0
[M+K]+ 413.08106 192.3
[M+H-H2O]+ 357.11516 177.9
[M+HCOO]- 419.11610 209.4
[M+CH3COO]- 433.13175 199.4
[M+Na-2H]- 395.09257 192.9
[M]+ 374.11735 187.6
[M]- 374.11845 187.6
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

patents stripe