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 207.9
[M+Na]+ 431.08362 217.2
[M-H]- 407.08712 215.5
[M+NH4]+ 426.12822 217.2
[M+K]+ 447.05756 210.4
[M+H-H2O]+ 391.09166 191.2
[M+HCOO]- 453.09260 220.9
[M+CH3COO]- 467.10825 233.5
[M+Na-2H]- 429.06907 207.1
[M]+ 408.09385 204.8
[M]- 408.09495 204.8
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.