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 175.2
[M+Na]+ 399.13492 181.1
[M-H]- 375.13842 182.1
[M+NH4]+ 394.17952 182.7
[M+K]+ 415.10886 176.0
[M+H-H2O]+ 359.14296 168.9
[M+HCOO]- 421.14390 190.9
[M+CH3COO]- 435.15955 216.4
[M+Na-2H]- 397.12037 180.1
[M]+ 376.14515 179.0
[M]- 376.14625 179.0
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.