CID 4391376

311775-09-4

Structural Information

Molecular Formula
C22H17F2N3O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)F)N)C#N)C4=CC=C(C=C4)F)C(=O)C1
InChI
InChI=1S/C22H17F2N3O/c23-14-6-4-13(5-7-14)20-17(12-25)22(26)27(16-10-8-15(24)9-11-16)18-2-1-3-19(28)21(18)20/h4-11,20H,1-3,26H2
InChIKey
MJNIKHOOPMNUAS-UHFFFAOYSA-N
Compound name
2-amino-1,4-bis(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

377.13397 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.14125 192.9
[M+Na]+ 400.12319 203.8
[M-H]- 376.12669 196.6
[M+NH4]+ 395.16779 202.3
[M+K]+ 416.09713 192.9
[M+H-H2O]+ 360.13123 174.9
[M+HCOO]- 422.13217 205.0
[M+CH3COO]- 436.14782 199.8
[M+Na-2H]- 398.10864 191.5
[M]+ 377.13342 181.6
[M]- 377.13452 181.6
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.