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]+ 260.11038 157.3
[M+Na]+ 282.09232 164.8
[M-H]- 258.09582 164.2
[M+NH4]+ 277.13692 174.6
[M+K]+ 298.06626 160.0
[M+H-H2O]+ 242.10036 149.7
[M+HCOO]- 304.10130 177.5
[M+CH3COO]- 318.11695 197.9
[M+Na-2H]- 280.07777 160.9
[M]+ 259.10255 160.4
[M]- 259.10365 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