CID 4249449

421566-89-4

Structural Information

Molecular Formula
C25H25FN2O4
SMILES
CC1=C(C(C2=C(N1)CCCC2=O)C3=C(C=C(C=C3)OC)OC)C(=O)NC4=CC(=CC=C4)F
InChI
InChI=1S/C25H25FN2O4/c1-14-22(25(30)28-16-7-4-6-15(26)12-16)23(24-19(27-14)8-5-9-20(24)29)18-11-10-17(31-2)13-21(18)32-3/h4,6-7,10-13,23,27H,5,8-9H2,1-3H3,(H,28,30)
InChIKey
VLIYKYQRZCSYSL-UHFFFAOYSA-N
Compound name
4-(2,4-dimethoxyphenyl)-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

436.17984 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.18712 206.2
[M+Na]+ 459.16906 212.1
[M-H]- 435.17256 212.4
[M+NH4]+ 454.21366 214.0
[M+K]+ 475.14300 206.2
[M+H-H2O]+ 419.17710 194.3
[M+HCOO]- 481.17804 220.3
[M+CH3COO]- 495.19369 233.5
[M+Na-2H]- 457.15451 204.4
[M]+ 436.17929 204.0
[M]- 436.18039 204.0
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.