CID 204732

16795-60-1

Structural Information

Molecular Formula
C14H20N2O2S
SMILES
CCN(CC)CC#CCNS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H20N2O2S/c1-3-16(4-2)13-9-8-12-15-19(17,18)14-10-6-5-7-11-14/h5-7,10-11,15H,3-4,12-13H2,1-2H3
InChIKey
VMKCEIPRFUUBHG-UHFFFAOYSA-N
Compound name
N-[4-(diethylamino)but-2-ynyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.12454 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13182 173.3
[M+Na]+ 303.11376 180.6
[M-H]- 279.11726 176.3
[M+NH4]+ 298.15836 187.8
[M+K]+ 319.08770 176.9
[M+H-H2O]+ 263.12180 160.0
[M+HCOO]- 325.12274 186.8
[M+CH3COO]- 339.13839 208.9
[M+Na-2H]- 301.09921 174.9
[M]+ 280.12399 170.9
[M]- 280.12509 170.9
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.