CID 3056972

Sulfilimine, s,s-dibutyl-n-(phenylsulfonyl)-

Structural Information

Molecular Formula
C14H23NO2S2
SMILES
CCCCS(=NS(=O)(=O)C1=CC=CC=C1)CCCC
InChI
InChI=1S/C14H23NO2S2/c1-3-5-12-18(13-6-4-2)15-19(16,17)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
InChIKey
YTJSZLXUGBQHCV-UHFFFAOYSA-N
Compound name
N-(dibutyl-lambda4-sulfanylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.11703 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.124306 169.3
[M+Na]+ 324.106248 174.9
[M-H]- 300.109754 173.0
[M+NH4]+ 319.150853 185.3
[M+K]+ 340.080188 169.8
[M+H-H2O]+ 284.114290 161.9
[M+HCOO]- 346.115231 181.9
[M+CH3COO]- 360.130881 204.1
[M+Na-2H]- 322.091696 170.1
[M]+ 301.11648142 174.3
[M]- 301.11757858 174.3
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.