CID 492949

Schembl10475317

Structural Information

Molecular Formula
C26H23FN4O3
SMILES
C1COCCN1CNC(=O)C2=CN(C3=C(C2=O)C=CC(=C3)C4=CC=NC=C4)C5=CC=C(C=C5)F
InChI
InChI=1S/C26H23FN4O3/c27-20-2-4-21(5-3-20)31-16-23(26(33)29-17-30-11-13-34-14-12-30)25(32)22-6-1-19(15-24(22)31)18-7-9-28-10-8-18/h1-10,15-16H,11-14,17H2,(H,29,33)
InChIKey
AMFHJJRZJBFADI-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N-(morpholin-4-ylmethyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

458.1754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.18268 212.8
[M+Na]+ 481.16462 218.4
[M-H]- 457.16812 220.6
[M+NH4]+ 476.20922 214.9
[M+K]+ 497.13856 211.6
[M+H-H2O]+ 441.17266 197.1
[M+HCOO]- 503.17360 225.1
[M+CH3COO]- 517.18925 218.8
[M+Na-2H]- 479.15007 214.7
[M]+ 458.17485 209.0
[M]- 458.17595 209.0
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