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

14
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 160.3
[M+Na]+ 300.06649 168.2
[M-H]- 276.06999 166.2
[M+NH4]+ 295.11109 175.9
[M+K]+ 316.04043 163.2
[M+H-H2O]+ 260.07453 153.3
[M+HCOO]- 322.07547 178.5
[M+CH3COO]- 336.09112 195.5
[M+Na-2H]- 298.05194 165.0
[M]+ 277.07672 162.1
[M]- 277.07782 162.2
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