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 154.2
[M+Na]+ 266.09739 161.0
[M-H]- 242.10089 162.2
[M+NH4]+ 261.14199 172.5
[M+K]+ 282.07133 157.2
[M+H-H2O]+ 226.10543 146.4
[M+HCOO]- 288.10637 174.6
[M+CH3COO]- 302.12202 198.2
[M+Na-2H]- 264.08284 157.7
[M]+ 243.10762 156.7
[M]- 243.10872 156.7
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.