CID 3023799

94158-19-7

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)CC#N
InChI
InChI=1S/C19H20N2O3S/c1-2-3-14-21(17-9-5-4-6-10-17)25(23,24)18-11-7-8-16(15-18)19(22)12-13-20/h4-11,15H,2-3,12,14H2,1H3
InChIKey
MAPSJZHIZMKNOG-UHFFFAOYSA-N
Compound name
N-butyl-3-(2-cyanoacetyl)-N-phenylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11948 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.126756 194.9
[M+Na]+ 379.108698 202.6
[M-H]- 355.112204 201.2
[M+NH4]+ 374.153303 206.4
[M+K]+ 395.082638 197.6
[M+H-H2O]+ 339.116740 179.9
[M+HCOO]- 401.117681 208.8
[M+CH3COO]- 415.133331 224.7
[M+Na-2H]- 377.094146 195.2
[M]+ 356.11893142 193.8
[M]- 356.12002858 193.8
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.