CID 3072282

Benzenemethanamine, 3-((3-chlorophenyl)thio)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C15H16ClNS
SMILES
CN(C)CC1=CC(=CC=C1)SC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H16ClNS/c1-17(2)11-12-5-3-7-14(9-12)18-15-8-4-6-13(16)10-15/h3-10H,11H2,1-2H3
InChIKey
ZGOKDMHLJWXQNB-UHFFFAOYSA-N
Compound name
1-[3-(3-chlorophenyl)sulfanylphenyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.06918 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07646 161.6
[M+Na]+ 300.05840 177.3
[M+NH4]+ 295.10300 172.4
[M+K]+ 316.03234 165.7
[M-H]- 276.06190 168.6
[M+Na-2H]- 298.04385 171.9
[M]+ 277.06863 166.9
[M]- 277.06973 166.9
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.