CID 667612

Benzenemethanamine, 2-((4-methoxyphenyl)thio)-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C15H17NOS
SMILES
CNCC1=CC=CC=C1SC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H17NOS/c1-16-11-12-5-3-4-6-15(12)18-14-9-7-13(17-2)8-10-14/h3-10,16H,11H2,1-2H3
InChIKey
MZFMWBVFRIBICR-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)sulfanylphenyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

259.1031 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.110376 157.3
[M+Na]+ 282.092318 164.8
[M-H]- 258.095824 164.2
[M+NH4]+ 277.136923 174.6
[M+K]+ 298.066258 160.0
[M+H-H2O]+ 242.100360 149.7
[M+HCOO]- 304.101301 177.5
[M+CH3COO]- 318.116951 197.9
[M+Na-2H]- 280.077766 160.9
[M]+ 259.10255142 160.4
[M]- 259.10364858 160.4
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

patents stripe