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 195.1
[M+Na]+ 396.14825 205.7
[M-H]- 372.15175 200.1
[M+NH4]+ 391.19285 204.8
[M+K]+ 412.12219 195.0
[M+H-H2O]+ 356.15629 177.9
[M+HCOO]- 418.15723 207.9
[M+CH3COO]- 432.17288 202.3
[M+Na-2H]- 394.13370 193.8
[M]+ 373.15848 185.1
[M]- 373.15958 185.1
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.