CID 6479587

Chembl433457

Structural Information

Molecular Formula
C23H17F3N2O3S
SMILES
COC1=CC2=C(C=C1)N=C(C=C2)/C=C/C3=CC=CC4=C3C=CC(=C4)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C23H17F3N2O3S/c1-31-20-10-12-22-17(14-20)6-8-18(27-22)7-5-15-3-2-4-16-13-19(9-11-21(15)16)28-32(29,30)23(24,25)26/h2-14,28H,1H3/b7-5+
InChIKey
VNHDARHZIXCZOZ-FNORWQNLSA-N
Compound name
1,1,1-trifluoro-N-[5-[(E)-2-(6-methoxyquinolin-2-yl)ethenyl]naphthalen-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

458.0912 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.09848 206.7
[M+Na]+ 481.08042 216.9
[M-H]- 457.08392 210.0
[M+NH4]+ 476.12502 215.9
[M+K]+ 497.05436 208.7
[M+H-H2O]+ 441.08846 194.5
[M+HCOO]- 503.08940 217.9
[M+CH3COO]- 517.10505 231.4
[M+Na-2H]- 479.06587 213.1
[M]+ 458.09065 209.0
[M]- 458.09175 209.0
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.