CID 430932

58497-87-3

Structural Information

Molecular Formula
C12H18N2O4S
SMILES
CS(=O)(=O)NC1=C(C=CC(=C1)C(CNC2CC2)O)O
InChI
InChI=1S/C12H18N2O4S/c1-19(17,18)14-10-6-8(2-5-11(10)15)12(16)7-13-9-3-4-9/h2,5-6,9,12-16H,3-4,7H2,1H3
InChIKey
RKHPJJPZCWWKMH-UHFFFAOYSA-N
Compound name
N-[5-[2-(cyclopropylamino)-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.09872 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10600 153.2
[M+Na]+ 309.08794 160.1
[M-H]- 285.09144 157.8
[M+NH4]+ 304.13254 162.7
[M+K]+ 325.06188 154.9
[M+H-H2O]+ 269.09598 146.9
[M+HCOO]- 331.09692 169.7
[M+CH3COO]- 345.11257 200.8
[M+Na-2H]- 307.07339 156.8
[M]+ 286.09817 156.4
[M]- 286.09927 156.4
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.