CID 3080346

Brn 4481340

Structural Information

Molecular Formula
C15H17NO3S
SMILES
CN(C)CC1=CC=CC=C1S(=O)(=O)C2=CC=CC(=C2)O
InChI
InChI=1S/C15H17NO3S/c1-16(2)11-12-6-3-4-9-15(12)20(18,19)14-8-5-7-13(17)10-14/h3-10,17H,11H2,1-2H3
InChIKey
SIVOMINSORTERF-UHFFFAOYSA-N
Compound name
3-[2-[(dimethylamino)methyl]phenyl]sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09293 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 165.1
[M+Na]+ 314.08215 177.6
[M+NH4]+ 309.12675 172.7
[M+K]+ 330.05609 169.8
[M-H]- 290.08565 168.8
[M+Na-2H]- 312.06760 173.2
[M]+ 291.09238 168.5
[M]- 291.09348 168.5
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.