CID 3072284

Benzenemethanamine, n,n-dimethyl-3-(phenylthio)-, hydrochloride

Structural Information

Molecular Formula
C15H17NS
SMILES
CN(C)CC1=CC(=CC=C1)SC2=CC=CC=C2
InChI
InChI=1S/C15H17NS/c1-16(2)12-13-7-6-10-15(11-13)17-14-8-4-3-5-9-14/h3-11H,12H2,1-2H3
InChIKey
FGXDDHRSIBTVDV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(3-phenylsulfanylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10817 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11545 154.4
[M+Na]+ 266.09739 168.9
[M+NH4]+ 261.14199 165.0
[M+K]+ 282.07133 158.1
[M-H]- 242.10089 161.3
[M+Na-2H]- 264.08284 165.0
[M]+ 243.10762 159.2
[M]- 243.10872 159.2
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.