CID 29048718

2287300-97-2

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
CCNS(=O)(=O)C1=CC(=C(C=C1)O)N
InChI
InChI=1S/C8H12N2O3S/c1-2-10-14(12,13)6-3-4-8(11)7(9)5-6/h3-5,10-11H,2,9H2,1H3
InChIKey
QPRBDAGIOLBTPF-UHFFFAOYSA-N
Compound name
3-amino-N-ethyl-4-hydroxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

216.05687 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 143.3
[M+Na]+ 239.04609 151.3
[M-H]- 215.04959 145.6
[M+NH4]+ 234.09069 161.0
[M+K]+ 255.02003 147.6
[M+H-H2O]+ 199.05413 137.4
[M+HCOO]- 261.05507 161.9
[M+CH3COO]- 275.07072 186.2
[M+Na-2H]- 237.03154 147.5
[M]+ 216.05632 143.5
[M]- 216.05742 143.5
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

patents stripe