CID 41952

Ethanone, 2-(methyl(phenylmethyl)amino)-1-(4-(methylsulfonyl)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C17H19NO3S
SMILES
CN(CC1=CC=CC=C1)CC(=O)C2=CC=C(C=C2)S(=O)(=O)C
InChI
InChI=1S/C17H19NO3S/c1-18(12-14-6-4-3-5-7-14)13-17(19)15-8-10-16(11-9-15)22(2,20)21/h3-11H,12-13H2,1-2H3
InChIKey
MFVUONBNUBZROA-UHFFFAOYSA-N
Compound name
2-[benzyl(methyl)amino]-1-(4-methylsulfonylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.10855 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11583 172.1
[M+Na]+ 340.09777 184.0
[M+NH4]+ 335.14237 179.4
[M+K]+ 356.07171 176.1
[M-H]- 316.10127 175.8
[M+Na-2H]- 338.08322 180.2
[M]+ 317.10800 175.3
[M]- 317.10910 175.3
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.