CID 137949006

N,3-dimethyl-1-phenylbutane-1-sulfonamide

Structural Information

Molecular Formula
C12H19NO2S
SMILES
CC(C)CC(C1=CC=CC=C1)S(=O)(=O)NC
InChI
InChI=1S/C12H19NO2S/c1-10(2)9-12(16(14,15)13-3)11-7-5-4-6-8-11/h4-8,10,12-13H,9H2,1-3H3
InChIKey
FUZANQURCPLYAU-UHFFFAOYSA-N
Compound name
N,3-dimethyl-1-phenylbutane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.120926 154.4
[M+Na]+ 264.102868 159.9
[M-H]- 240.106374 157.7
[M+NH4]+ 259.147473 171.9
[M+K]+ 280.076808 157.3
[M+H-H2O]+ 224.110910 148.0
[M+HCOO]- 286.111851 170.8
[M+CH3COO]- 300.127501 193.4
[M+Na-2H]- 262.088316 156.6
[M]+ 241.11310142 156.4
[M]- 241.11419858 156.4
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.