CID 2812775

N-(2-hydroxy-2-phenyl-ethyl)-4-methyl-benzenesulfonamide

Structural Information

Molecular Formula
C15H17NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)O
InChI
InChI=1S/C15H17NO3S/c1-12-7-9-14(10-8-12)20(18,19)16-11-15(17)13-5-3-2-4-6-13/h2-10,15-17H,11H2,1H3
InChIKey
OUILWGCQLMHRJA-UHFFFAOYSA-N
Compound name
N-(2-hydroxy-2-phenylethyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

291.09293 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 164.8
[M+Na]+ 314.08215 171.0
[M-H]- 290.08565 170.1
[M+NH4]+ 309.12675 179.4
[M+K]+ 330.05609 166.3
[M+H-H2O]+ 274.09019 157.5
[M+HCOO]- 336.09113 181.6
[M+CH3COO]- 350.10678 198.2
[M+Na-2H]- 312.06760 168.6
[M]+ 291.09238 165.9
[M]- 291.09348 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe