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]+ 242.12093 154.4
[M+Na]+ 264.10287 159.9
[M-H]- 240.10637 157.7
[M+NH4]+ 259.14747 171.9
[M+K]+ 280.07681 157.3
[M+H-H2O]+ 224.11091 148.0
[M+HCOO]- 286.11185 170.8
[M+CH3COO]- 300.12750 193.4
[M+Na-2H]- 262.08832 156.6
[M]+ 241.11310 156.4
[M]- 241.11420 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.