CID 137949004

N-methyl-1-phenylbutane-2-sulfonamide

Structural Information

Molecular Formula
C11H17NO2S
SMILES
CCC(CC1=CC=CC=C1)S(=O)(=O)NC
InChI
InChI=1S/C11H17NO2S/c1-3-11(15(13,14)12-2)9-10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3
InChIKey
ZPRCIDRKINRWCQ-UHFFFAOYSA-N
Compound name
N-methyl-1-phenylbutane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.098 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10528 150.0
[M+Na]+ 250.08722 156.3
[M-H]- 226.09072 153.5
[M+NH4]+ 245.13182 168.2
[M+K]+ 266.06116 153.4
[M+H-H2O]+ 210.09526 143.8
[M+HCOO]- 272.09620 167.8
[M+CH3COO]- 286.11185 189.5
[M+Na-2H]- 248.07267 153.8
[M]+ 227.09745 152.3
[M]- 227.09855 152.3
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.