CID 492948

Schembl10475221

Structural Information

Molecular Formula
C26H25FN4O2
SMILES
CCN(CC)CNC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C26H25FN4O2/c1-3-30(4-2)17-29-26(33)23-16-31(21-8-6-20(27)7-9-21)24-15-19(5-10-22(24)25(23)32)18-11-13-28-14-12-18/h5-16H,3-4,17H2,1-2H3,(H,29,33)
InChIKey
PJMNBHQZGDQQCL-UHFFFAOYSA-N
Compound name
N-(diethylaminomethyl)-1-(4-fluorophenyl)-4-oxo-7-pyridin-4-ylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

444.19617 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.20345 210.2
[M+Na]+ 467.18539 216.8
[M-H]- 443.18889 217.8
[M+NH4]+ 462.22999 217.0
[M+K]+ 483.15933 210.2
[M+H-H2O]+ 427.19343 196.3
[M+HCOO]- 489.19437 229.4
[M+CH3COO]- 503.21002 241.2
[M+Na-2H]- 465.17084 212.5
[M]+ 444.19562 211.6
[M]- 444.19672 211.6
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