CID 5076314

421567-27-3

Structural Information

Molecular Formula
C25H26FN3O2
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C25H26FN3O2/c1-15-22(25(31)28-18-7-4-6-17(26)14-18)23(16-10-12-19(13-11-16)29(2)3)24-20(27-15)8-5-9-21(24)30/h4,6-7,10-14,23,27H,5,8-9H2,1-3H3,(H,28,31)
InChIKey
YAJYHNFDXXBVPK-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]-N-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.2009 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.20818 202.8
[M+Na]+ 442.19012 207.6
[M-H]- 418.19362 210.0
[M+NH4]+ 437.23472 211.5
[M+K]+ 458.16406 201.4
[M+H-H2O]+ 402.19816 190.8
[M+HCOO]- 464.19910 218.2
[M+CH3COO]- 478.21475 236.0
[M+Na-2H]- 440.17557 201.5
[M]+ 419.20035 198.0
[M]- 419.20145 198.0
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

No patent data available for this compound.