CID 3056881

8-quinolinol, 7-(alpha-(m-trifluoromethylanilino)benzyl)-

Structural Information

Molecular Formula
C23H17F3N2O
SMILES
C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C23H17F3N2O/c24-23(25,26)17-9-4-10-18(14-17)28-20(15-6-2-1-3-7-15)19-12-11-16-8-5-13-27-21(16)22(19)29/h1-14,20,28-29H
InChIKey
IJZDMEIVMCUWQV-UHFFFAOYSA-N
Compound name
7-[phenyl-[3-(trifluoromethyl)anilino]methyl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

394.1293 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13658 192.3
[M+Na]+ 417.11852 199.2
[M-H]- 393.12202 196.0
[M+NH4]+ 412.16312 201.3
[M+K]+ 433.09246 191.1
[M+H-H2O]+ 377.12656 179.2
[M+HCOO]- 439.12750 206.8
[M+CH3COO]- 453.14315 200.0
[M+Na-2H]- 415.10397 196.8
[M]+ 394.12875 186.7
[M]- 394.12985 186.7
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