CID 4676243

311782-77-1

Structural Information

Molecular Formula
C24H22FN3O3
SMILES
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)F)N)C#N)OC
InChI
InChI=1S/C24H22FN3O3/c1-30-20-11-6-14(12-21(20)31-2)22-17(13-26)24(27)28(16-9-7-15(25)8-10-16)18-4-3-5-19(29)23(18)22/h6-12,22H,3-5,27H2,1-2H3
InChIKey
BUUSCKOGUFSPNA-UHFFFAOYSA-N
Compound name
2-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

419.16452 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.17180 204.0
[M+Na]+ 442.15374 214.3
[M-H]- 418.15724 209.0
[M+NH4]+ 437.19834 211.9
[M+K]+ 458.12768 205.3
[M+H-H2O]+ 402.16178 186.4
[M+HCOO]- 464.16272 216.6
[M+CH3COO]- 478.17837 210.7
[M+Na-2H]- 440.13919 201.8
[M]+ 419.16397 197.1
[M]- 419.16507 197.1
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

No patent data available for this compound.