CID 826604

Phenol, 3-((4-((dimethylamino)methyl)phenyl)thio)-, hydrochloride

Structural Information

Molecular Formula
C15H17NOS
SMILES
CN(C)CC1=CC=C(C=C1)SC2=CC=CC(=C2)O
InChI
InChI=1S/C15H17NOS/c1-16(2)11-12-6-8-14(9-7-12)18-15-5-3-4-13(17)10-15/h3-10,17H,11H2,1-2H3
InChIKey
XJCYSQZWEGTBDE-UHFFFAOYSA-N
Compound name
3-[4-[(dimethylamino)methyl]phenyl]sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1031 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11038 158.1
[M+Na]+ 282.09232 171.9
[M+NH4]+ 277.13692 167.7
[M+K]+ 298.06626 162.1
[M-H]- 258.09582 164.0
[M+Na-2H]- 280.07777 167.4
[M]+ 259.10255 162.4
[M]- 259.10365 162.4
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

No patent data available for this compound.