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]+ 292.100206 164.6
[M+Na]+ 314.082148 172.1
[M-H]- 290.085654 171.7
[M+NH4]+ 309.126753 180.2
[M+K]+ 330.056088 168.4
[M+H-H2O]+ 274.090190 157.2
[M+HCOO]- 336.091131 182.8
[M+CH3COO]- 350.106781 201.8
[M+Na-2H]- 312.067596 168.1
[M]+ 291.09238142 168.0
[M]- 291.09347858 168.0
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.