CID 4085269

325474-22-4

Structural Information

Molecular Formula
C22H16F3N3O
SMILES
C1=CC=NC(=C1)NC(C2=CC=C(C=C2)C(F)(F)F)C3=C(C4=C(C=CC=N4)C=C3)O
InChI
InChI=1S/C22H16F3N3O/c23-22(24,25)16-9-6-15(7-10-16)19(28-18-5-1-2-12-26-18)17-11-8-14-4-3-13-27-20(14)21(17)29/h1-13,19,29H,(H,26,28)
InChIKey
INVQPPWIRWLBBU-UHFFFAOYSA-N
Compound name
7-[(pyridin-2-ylamino)-[4-(trifluoromethyl)phenyl]methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

395.12454 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.13182 189.1
[M+Na]+ 418.11376 201.4
[M+NH4]+ 413.15836 194.2
[M+K]+ 434.08770 194.1
[M-H]- 394.11726 190.6
[M+Na-2H]- 416.09921 197.4
[M]+ 395.12399 191.2
[M]- 395.12509 191.2
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

patents stripe