CID 6479588

Chembl299278

Structural Information

Molecular Formula
C24H20F3N3O2S
SMILES
CN(C)C1=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/C24H20F3N3O2S/c1-30(2)21-11-13-23-18(15-21)7-9-19(28-23)8-6-16-4-3-5-17-14-20(10-12-22(16)17)29-33(31,32)24(25,26)27/h3-15,29H,1-2H3/b8-6+
InChIKey
KBCFJRMIJSNCAY-SOFGYWHQSA-N
Compound name
N-[5-[(E)-2-[6-(dimethylamino)quinolin-2-yl]ethenyl]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.12283 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.13011 210.1
[M+Na]+ 494.11205 219.2
[M-H]- 470.11555 214.4
[M+NH4]+ 489.15665 219.1
[M+K]+ 510.08599 211.6
[M+H-H2O]+ 454.12009 197.5
[M+HCOO]- 516.12103 222.2
[M+CH3COO]- 530.13668 240.2
[M+Na-2H]- 492.09750 216.1
[M]+ 471.12228 211.9
[M]- 471.12338 211.9
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

No patent data available for this compound.