CID 3041787

58498-07-0

Structural Information

Molecular Formula
C13H21N3O4S
SMILES
CN(C)S(=O)(=O)NC1=C(C=CC(=C1)C(CNC2CC2)O)O
InChI
InChI=1S/C13H21N3O4S/c1-16(2)21(19,20)15-11-7-9(3-6-12(11)17)13(18)8-14-10-4-5-10/h3,6-7,10,13-15,17-18H,4-5,8H2,1-2H3
InChIKey
YIZGEBNTHPAUNT-UHFFFAOYSA-N
Compound name
4-[2-(cyclopropylamino)-1-hydroxyethyl]-2-(dimethylsulfamoylamino)-1-hydroxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.12527 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13255 159.9
[M+Na]+ 338.11449 165.5
[M-H]- 314.11799 165.6
[M+NH4]+ 333.15909 168.5
[M+K]+ 354.08843 161.3
[M+H-H2O]+ 298.12253 153.0
[M+HCOO]- 360.12347 177.4
[M+CH3COO]- 374.13912 211.8
[M+Na-2H]- 336.09994 163.1
[M]+ 315.12472 163.9
[M]- 315.12582 163.9
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.