CID 3080277

N,alpha-dimethyl-2-(phenylsulfinyl)benzeneethanamine (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C16H19NOS
SMILES
CC(CC1=CC=CC=C1S(=O)C2=CC=CC=C2)NC
InChI
InChI=1S/C16H19NOS/c1-13(17-2)12-14-8-6-7-11-16(14)19(18)15-9-4-3-5-10-15/h3-11,13,17H,12H2,1-2H3
InChIKey
MVVJBVUAMOKNSD-UHFFFAOYSA-N
Compound name
1-[2-(benzenesulfinyl)phenyl]-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11874 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12602 162.0
[M+Na]+ 296.10796 174.9
[M+NH4]+ 291.15256 171.1
[M+K]+ 312.08190 165.4
[M-H]- 272.11146 167.4
[M+Na-2H]- 294.09341 170.8
[M]+ 273.11819 165.9
[M]- 273.11929 165.9
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.