CID 16781918

328062-38-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

230.07251 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07979 147.6
[M+Na]+ 253.06173 154.7
[M-H]- 229.06523 150.8
[M+NH4]+ 248.10633 165.2
[M+K]+ 269.03567 151.7
[M+H-H2O]+ 213.06977 141.0
[M+HCOO]- 275.07071 167.5
[M+CH3COO]- 289.08636 190.4
[M+Na-2H]- 251.04718 152.4
[M]+ 230.07196 149.7
[M]- 230.07306 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