CID 3080507

Brn 4472587

Structural Information

Molecular Formula
C15H17NO2S
SMILES
CN(C)CC1=CC=CC=C1S(=O)C2=CC=CC(=C2)O
InChI
InChI=1S/C15H17NO2S/c1-16(2)11-12-6-3-4-9-15(12)19(18)14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKey
MWJJIXOSZBGGMU-UHFFFAOYSA-N
Compound name
3-[2-[(dimethylamino)methyl]phenyl]sulfinylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.098 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10528 161.0
[M+Na]+ 298.08722 174.0
[M+NH4]+ 293.13182 169.6
[M+K]+ 314.06116 165.4
[M-H]- 274.09072 165.9
[M+Na-2H]- 296.07267 169.4
[M]+ 275.09745 164.8
[M]- 275.09855 164.8
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.