CID 4147596

339335-28-3

Structural Information

Molecular Formula
C23H20FN3O
SMILES
CC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)F)C(=O)CCC3
InChI
InChI=1S/C23H20FN3O/c1-14-5-11-17(12-6-14)27-19-3-2-4-20(28)22(19)21(18(13-25)23(27)26)15-7-9-16(24)10-8-15/h5-12,21H,2-4,26H2,1H3
InChIKey
IZFILOSBKHPDRM-UHFFFAOYSA-N
Compound name
2-amino-4-(4-fluorophenyl)-1-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.15903 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16631 196.4
[M+Na]+ 396.14825 210.7
[M+NH4]+ 391.19285 200.5
[M+K]+ 412.12219 198.0
[M-H]- 372.15175 194.4
[M+Na-2H]- 394.13370 200.3
[M]+ 373.15848 197.2
[M]- 373.15958 197.2
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.