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 172.8
[M+Na]+ 340.09777 179.0
[M-H]- 316.10127 180.6
[M+NH4]+ 335.14237 187.5
[M+K]+ 356.07171 175.6
[M+H-H2O]+ 300.10581 164.7
[M+HCOO]- 362.10675 191.0
[M+CH3COO]- 376.12240 209.0
[M+Na-2H]- 338.08322 175.3
[M]+ 317.10800 177.0
[M]- 317.10910 177.0
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.