CID 3041784

Methanesulfonanilide, 5'-(2-(1-benzylcyclopropylamino)-1-hydroxyethyl)-2'-hydroxy-, hydrochloride

Structural Information

Molecular Formula
C19H24N2O4S
SMILES
CS(=O)(=O)NC1=C(C=CC(=C1)C(CNC2(CC2)CC3=CC=CC=C3)O)O
InChI
InChI=1S/C19H24N2O4S/c1-26(24,25)21-16-11-15(7-8-17(16)22)18(23)13-20-19(9-10-19)12-14-5-3-2-4-6-14/h2-8,11,18,20-23H,9-10,12-13H2,1H3
InChIKey
UMDQAHHCAXBNNT-UHFFFAOYSA-N
Compound name
N-[5-[2-[(1-benzylcyclopropyl)amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.1457 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15298 187.8
[M+Na]+ 399.13492 198.7
[M+NH4]+ 394.17952 195.6
[M+K]+ 415.10886 191.5
[M-H]- 375.13842 198.3
[M+Na-2H]- 397.12037 198.3
[M]+ 376.14515 193.9
[M]- 376.14625 193.9
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.