CID 3586347

311327-36-3

Structural Information

Molecular Formula
C22H17F3N4O
SMILES
C1CC2=C(C(C(=C(N2C3=CC=CC(=C3)C(F)(F)F)N)C#N)C4=CN=CC=C4)C(=O)C1
InChI
InChI=1S/C22H17F3N4O/c23-22(24,25)14-5-1-6-15(10-14)29-17-7-2-8-18(30)20(17)19(16(11-26)21(29)27)13-4-3-9-28-12-13/h1,3-6,9-10,12,19H,2,7-8,27H2
InChIKey
JJLLXCVRNOEZJI-UHFFFAOYSA-N
Compound name
2-amino-5-oxo-4-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.13544 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.14272 200.4
[M+Na]+ 433.12466 211.6
[M+NH4]+ 428.16926 202.0
[M+K]+ 449.09860 200.8
[M-H]- 409.12816 194.0
[M+Na-2H]- 431.11011 202.4
[M]+ 410.13489 199.3
[M]- 410.13599 199.3
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.