CID 9554254

4-methyl-n-[methyl(propyl)-lambda~4~-sulfanylidene]benzenesulfonamide

Structural Information

Molecular Formula
C11H17NO2S2
SMILES
CCC/S(=N/S(=O)(=O)C1=CC=C(C=C1)C)/C
InChI
InChI=1S/C11H17NO2S2/c1-4-9-15(3)12-16(13,14)11-7-5-10(2)6-8-11/h5-8H,4,9H2,1-3H3
InChIKey
DDRASJMBTGYRDJ-UHFFFAOYSA-N
Compound name
(NE)-4-methyl-N-[methyl(propyl)-lambda4-sulfanylidene]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

259.07007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07735 155.8
[M+Na]+ 282.05929 163.4
[M-H]- 258.06279 160.5
[M+NH4]+ 277.10389 173.7
[M+K]+ 298.03323 159.0
[M+H-H2O]+ 242.06733 149.2
[M+HCOO]- 304.06827 169.2
[M+CH3COO]- 318.08392 196.4
[M+Na-2H]- 280.04474 157.3
[M]+ 259.06952 160.1
[M]- 259.07062 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.