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]+ 228.105276 150.0
[M+Na]+ 250.087218 156.3
[M-H]- 226.090724 153.5
[M+NH4]+ 245.131823 168.2
[M+K]+ 266.061158 153.4
[M+H-H2O]+ 210.095260 143.8
[M+HCOO]- 272.096201 167.8
[M+CH3COO]- 286.111851 189.5
[M+Na-2H]- 248.072666 153.8
[M]+ 227.09745142 152.3
[M]- 227.09854858 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.