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]+ 281.131816 173.3
[M+Na]+ 303.113758 180.6
[M-H]- 279.117264 176.3
[M+NH4]+ 298.158363 187.8
[M+K]+ 319.087698 176.9
[M+H-H2O]+ 263.121800 160.0
[M+HCOO]- 325.122741 186.8
[M+CH3COO]- 339.138391 208.9
[M+Na-2H]- 301.099206 174.9
[M]+ 280.12399142 170.9
[M]- 280.12508858 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.