CID 335174

Nsc343556

Structural Information

Molecular Formula
C25H16F6N2O2
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C25H16F6N2O2/c1-35-18-8-6-14(7-9-18)22-13-20(19-4-2-3-5-21(19)33-22)23(34)32-17-11-15(24(26,27)28)10-16(12-17)25(29,30)31/h2-13H,1H3,(H,32,34)
InChIKey
YTMWYACTRNTCIE-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

490.1116 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.11888 216.7
[M+Na]+ 513.10082 225.8
[M-H]- 489.10432 218.5
[M+NH4]+ 508.14542 222.8
[M+K]+ 529.07476 217.6
[M+H-H2O]+ 473.10886 200.6
[M+HCOO]- 535.10980 227.2
[M+CH3COO]- 549.12545 240.8
[M+Na-2H]- 511.08627 218.0
[M]+ 490.11105 210.9
[M]- 490.11215 210.9
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.