CID 268246

2-(1-hydroxy-1-phenylethyl)-n-methylbenzenesulfonamide

Structural Information

Molecular Formula
C15H17NO3S
SMILES
CC(C1=CC=CC=C1)(C2=CC=CC=C2S(=O)(=O)NC)O
InChI
InChI=1S/C15H17NO3S/c1-15(17,12-8-4-3-5-9-12)13-10-6-7-11-14(13)20(18,19)16-2/h3-11,16-17H,1-2H3
InChIKey
UPQQLTGEIMHPTI-UHFFFAOYSA-N
Compound name
2-(1-hydroxy-1-phenylethyl)-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09293 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 165.2
[M+Na]+ 314.08215 172.1
[M-H]- 290.08565 170.7
[M+NH4]+ 309.12675 180.0
[M+K]+ 330.05609 167.5
[M+H-H2O]+ 274.09019 158.4
[M+HCOO]- 336.09113 181.5
[M+CH3COO]- 350.10678 197.8
[M+Na-2H]- 312.06760 171.1
[M]+ 291.09238 166.5
[M]- 291.09348 166.5
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.