CID 596799

Benzenemethanamine, 2-((2,4-dimethoxyphenyl)thio)-n,n-dimethyl-, hydrobromide

Structural Information

Molecular Formula
C17H21NO2S
SMILES
CN(C)CC1=CC=CC=C1SC2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C17H21NO2S/c1-18(2)12-13-7-5-6-8-16(13)21-17-10-9-14(19-3)11-15(17)20-4/h5-11H,12H2,1-4H3
InChIKey
RHBINFXLXUFIFV-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1293 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13658 170.3
[M+Na]+ 326.11852 184.1
[M+NH4]+ 321.16312 179.4
[M+K]+ 342.09246 174.2
[M-H]- 302.12202 176.2
[M+Na-2H]- 324.10397 179.0
[M]+ 303.12875 174.6
[M]- 303.12985 174.6
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

No patent data available for this compound.