CID 6479584

Chembl299924

Structural Information

Molecular Formula
C18H13F3N2O2S
SMILES
C1=CC=NC(=C1)/C=C/C2=CC=CC3=C2C=CC(=C3)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C18H13F3N2O2S/c19-18(20,21)26(24,25)23-16-9-10-17-13(4-3-5-14(17)12-16)7-8-15-6-1-2-11-22-15/h1-12,23H/b8-7+
InChIKey
JINQBCDTTJDLNP-BQYQJAHWSA-N
Compound name
1,1,1-trifluoro-N-[5-[(E)-2-pyridin-2-ylethenyl]naphthalen-2-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.06497 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07225 183.7
[M+Na]+ 401.05419 192.7
[M-H]- 377.05769 185.8
[M+NH4]+ 396.09879 195.2
[M+K]+ 417.02813 185.0
[M+H-H2O]+ 361.06223 172.6
[M+HCOO]- 423.06317 195.7
[M+CH3COO]- 437.07882 214.5
[M+Na-2H]- 399.03964 189.4
[M]+ 378.06442 182.0
[M]- 378.06552 182.0
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.