CID 3046510

1-propanamine, n-methyl-3-(2-(phenylthio)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C16H19NOS
SMILES
CNCCCOC1=CC=CC=C1SC2=CC=CC=C2
InChI
InChI=1S/C16H19NOS/c1-17-12-7-13-18-15-10-5-6-11-16(15)19-14-8-3-2-4-9-14/h2-6,8-11,17H,7,12-13H2,1H3
InChIKey
QFYYXBSYQBMVAO-UHFFFAOYSA-N
Compound name
N-methyl-3-(2-phenylsulfanylphenoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.11874 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12602 162.3
[M+Na]+ 296.10796 176.0
[M+NH4]+ 291.15256 171.9
[M+K]+ 312.08190 164.9
[M-H]- 272.11146 168.4
[M+Na-2H]- 294.09341 171.9
[M]+ 273.11819 166.6
[M]- 273.11929 166.6
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

patents stripe