CID 827374

Benzenemethanamine, n,n-dimethyl-2-((2-methoxyphenyl)thio)-, hydrochloride

Structural Information

Molecular Formula
C16H19NOS
SMILES
CN(C)CC1=CC=CC=C1SC2=CC=CC=C2OC
InChI
InChI=1S/C16H19NOS/c1-17(2)12-13-8-4-6-10-15(13)19-16-11-7-5-9-14(16)18-3/h4-11H,12H2,1-3H3
InChIKey
QIVHSFHRURYWPB-UHFFFAOYSA-N
Compound name
1-[2-(2-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11874 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12602 162.3
[M+Na]+ 296.10796 169.5
[M-H]- 272.11146 170.5
[M+NH4]+ 291.15256 179.7
[M+K]+ 312.08190 165.9
[M+H-H2O]+ 256.11600 154.3
[M+HCOO]- 318.11694 182.6
[M+CH3COO]- 332.13259 204.2
[M+Na-2H]- 294.09341 164.7
[M]+ 273.11819 167.0
[M]- 273.11929 167.0
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