CID 4713670

3-amino-n-(2-methoxyethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C9H14N2O3S
SMILES
COCCNS(=O)(=O)C1=CC=CC(=C1)N
InChI
InChI=1S/C9H14N2O3S/c1-14-6-5-11-15(12,13)9-4-2-3-8(10)7-9/h2-4,7,11H,5-6,10H2,1H3
InChIKey
UYOOWVBGYJUUSV-UHFFFAOYSA-N
Compound name
3-amino-N-(2-methoxyethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

230.07251 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.079786 147.6
[M+Na]+ 253.061728 154.7
[M-H]- 229.065234 150.8
[M+NH4]+ 248.106333 165.2
[M+K]+ 269.035668 151.7
[M+H-H2O]+ 213.069770 141.0
[M+HCOO]- 275.070711 167.5
[M+CH3COO]- 289.086361 190.4
[M+Na-2H]- 251.047176 152.4
[M]+ 230.07196142 149.7
[M]- 230.07305858 149.7
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

patents stripe