CID 130963

Phenol, 3-((2-((dimethylamino)methyl)phenyl)thio)-, hydrobromide

Structural Information

Molecular Formula
C15H17NOS
SMILES
CN(C)CC1=CC=CC=C1SC2=CC=CC(=C2)O
InChI
InChI=1S/C15H17NOS/c1-16(2)11-12-6-3-4-9-15(12)18-14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKey
KKMSQPXDZXJMFX-UHFFFAOYSA-N
Compound name
3-[2-[(dimethylamino)methyl]phenyl]sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
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

literature stripe

Patent stripe

patents stripe