CID 4549294

N-(2-(hydroxymethyl)phenyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C14H15NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2CO
InChI
InChI=1S/C14H15NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16/h2-9,15-16H,10H2,1H3
InChIKey
VRPNCJQOSSNTOR-UHFFFAOYSA-N
Compound name
N-[2-(hydroxymethyl)phenyl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

277.07727 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08455 161.2
[M+Na]+ 300.06649 173.8
[M+NH4]+ 295.11109 168.8
[M+K]+ 316.04043 165.7
[M-H]- 276.06999 164.7
[M+Na-2H]- 298.05194 169.2
[M]+ 277.07672 164.5
[M]- 277.07782 164.5
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