CID 24377

955-48-6

Structural Information

Molecular Formula
C11H18N2O3S
SMILES
CC(C(C1=CC=C(C=C1)NS(=O)(=O)C)O)NC
InChI
InChI=1S/C11H18N2O3S/c1-8(12-2)11(14)9-4-6-10(7-5-9)13-17(3,15)16/h4-8,11-14H,1-3H3
InChIKey
YTDJNWMSAAWJDD-UHFFFAOYSA-N
Compound name
N-[4-[1-hydroxy-2-(methylamino)propyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

915
Patents

258.10382 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11110 156.6
[M+Na]+ 281.09304 161.7
[M-H]- 257.09654 158.6
[M+NH4]+ 276.13764 172.3
[M+K]+ 297.06698 158.9
[M+H-H2O]+ 241.10108 150.0
[M+HCOO]- 303.10202 172.8
[M+CH3COO]- 317.11767 196.4
[M+Na-2H]- 279.07849 158.9
[M]+ 258.10327 157.3
[M]- 258.10437 157.3
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

patents stripe