CID 3041776

5'-(2-(cyclopropylamino)-1-ethoxyethyl)-2'-hydroxymethanesulfonanilide hydrochloride

Structural Information

Molecular Formula
C14H22N2O4S
SMILES
CCOC(CNC1CC1)C2=CC(=C(C=C2)O)NS(=O)(=O)C
InChI
InChI=1S/C14H22N2O4S/c1-3-20-14(9-15-11-5-6-11)10-4-7-13(17)12(8-10)16-21(2,18)19/h4,7-8,11,14-17H,3,5-6,9H2,1-2H3
InChIKey
WIOSBRUXQUGCRN-UHFFFAOYSA-N
Compound name
N-[5-[2-(cyclopropylamino)-1-ethoxyethyl]-2-hydroxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.13004 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13732 162.9
[M+Na]+ 337.11926 169.3
[M-H]- 313.12276 168.5
[M+NH4]+ 332.16386 171.9
[M+K]+ 353.09320 164.5
[M+H-H2O]+ 297.12730 155.9
[M+HCOO]- 359.12824 180.1
[M+CH3COO]- 373.14389 208.6
[M+Na-2H]- 335.10471 165.8
[M]+ 314.12949 168.5
[M]- 314.13059 168.5
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.