CID 15034418

5-(2-aminoethyl)-2-methoxybenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C9H14N2O3S
SMILES
COC1=C(C=C(C=C1)CCN)S(=O)(=O)N
InChI
InChI=1S/C9H14N2O3S/c1-14-8-3-2-7(4-5-10)6-9(8)15(11,12)13/h2-3,6H,4-5,10H2,1H3,(H2,11,12,13)
InChIKey
PZRHMFALYBNXGC-UHFFFAOYSA-N
Compound name
5-(2-aminoethyl)-2-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

83
Patents

230.07251 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.079786 147.9
[M+Na]+ 253.061728 155.9
[M-H]- 229.065234 150.9
[M+NH4]+ 248.106333 165.4
[M+K]+ 269.035668 152.5
[M+H-H2O]+ 213.069770 141.6
[M+HCOO]- 275.070711 167.1
[M+CH3COO]- 289.086361 191.1
[M+Na-2H]- 251.047176 151.0
[M]+ 230.07196142 149.3
[M]- 230.07305858 149.3
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