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]+ 276.105276 161.2
[M+Na]+ 298.087218 168.0
[M-H]- 274.090724 168.1
[M+NH4]+ 293.131823 177.5
[M+K]+ 314.061158 164.3
[M+H-H2O]+ 258.095260 153.6
[M+HCOO]- 320.096201 179.6
[M+CH3COO]- 334.111851 200.9
[M+Na-2H]- 296.072666 162.6
[M]+ 275.09745142 163.8
[M]- 275.09854858 163.8
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.