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 192.4
[M+Na]+ 418.11376 199.7
[M-H]- 394.11726 194.9
[M+NH4]+ 413.15836 199.9
[M+K]+ 434.08770 191.4
[M+H-H2O]+ 378.12180 178.6
[M+HCOO]- 440.12274 205.8
[M+CH3COO]- 454.13839 199.7
[M+Na-2H]- 416.09921 197.6
[M]+ 395.12399 186.9
[M]- 395.12509 186.9
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