CID 351447

N,n-diallyl-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C13H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC=C
InChI
InChI=1S/C13H17NO2S/c1-4-10-14(11-5-2)17(15,16)13-8-6-12(3)7-9-13/h4-9H,1-2,10-11H2,3H3
InChIKey
OKXHMBXWZHCSMR-UHFFFAOYSA-N
Compound name
4-methyl-N,N-bis(prop-2-enyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

206
Patents

251.098 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10528 155.8
[M+Na]+ 274.08722 163.2
[M-H]- 250.09072 160.8
[M+NH4]+ 269.13182 173.9
[M+K]+ 290.06116 159.5
[M+H-H2O]+ 234.09526 149.3
[M+HCOO]- 296.09620 174.8
[M+CH3COO]- 310.11185 197.5
[M+Na-2H]- 272.07267 158.5
[M]+ 251.09745 159.7
[M]- 251.09855 159.7
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

patents stripe