CID 501248

Benzeneethanol,2,5-dimethyl-b-(2-pyridinylsulfonyl)-

Structural Information

Molecular Formula
C15H17NO3S
SMILES
CC1=CC(=C(C=C1)C)C(CO)S(=O)(=O)C2=CC=CC=N2
InChI
InChI=1S/C15H17NO3S/c1-11-6-7-12(2)13(9-11)14(10-17)20(18,19)15-5-3-4-8-16-15/h3-9,14,17H,10H2,1-2H3
InChIKey
IJPFUVFUSJGYFU-UHFFFAOYSA-N
Compound name
2-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfonylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09293 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 165.0
[M+Na]+ 314.08215 173.0
[M-H]- 290.08565 169.4
[M+NH4]+ 309.12675 179.0
[M+K]+ 330.05609 168.3
[M+H-H2O]+ 274.09019 157.6
[M+HCOO]- 336.09113 179.5
[M+CH3COO]- 350.10678 197.0
[M+Na-2H]- 312.06760 167.6
[M]+ 291.09238 167.8
[M]- 291.09348 167.8
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.