CID 51060017

N-(2-cyanophenyl)-n-(2-(2-fluorophenyl)-2-oxoethyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C22H17FN2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)C2=CC=CC=C2F)C3=CC=CC=C3C#N
InChI
InChI=1S/C22H17FN2O3S/c1-16-10-12-18(13-11-16)29(27,28)25(21-9-5-2-6-17(21)14-24)15-22(26)19-7-3-4-8-20(19)23/h2-13H,15H2,1H3
InChIKey
TUTAMGTZGQUMGN-UHFFFAOYSA-N
Compound name
N-(2-cyanophenyl)-N-[2-(2-fluorophenyl)-2-oxoethyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0944 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.10168 192.2
[M+Na]+ 431.08362 204.7
[M+NH4]+ 426.12822 195.1
[M+K]+ 447.05756 192.9
[M-H]- 407.08712 188.8
[M+Na-2H]- 429.06907 198.3
[M]+ 408.09385 192.7
[M]- 408.09495 192.7
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

No patent data available for this compound.