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]+ 244.115446 154.2
[M+Na]+ 266.097388 161.0
[M-H]- 242.100894 162.2
[M+NH4]+ 261.141993 172.5
[M+K]+ 282.071328 157.2
[M+H-H2O]+ 226.105430 146.4
[M+HCOO]- 288.106371 174.6
[M+CH3COO]- 302.122021 198.2
[M+Na-2H]- 264.082836 157.7
[M]+ 243.10762142 156.7
[M]- 243.10871858 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.