CID 2056585

4-amino-n-(furan-2-ylmethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C11H12N2O3S
SMILES
C1=COC(=C1)CNS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H12N2O3S/c12-9-3-5-11(6-4-9)17(14,15)13-8-10-2-1-7-16-10/h1-7,13H,8,12H2
InChIKey
GDZYTNDTKOAWSN-UHFFFAOYSA-N
Compound name
4-amino-N-(furan-2-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

252.05687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06415 153.2
[M+Na]+ 275.04609 161.4
[M-H]- 251.04959 160.8
[M+NH4]+ 270.09069 170.3
[M+K]+ 291.02003 158.6
[M+H-H2O]+ 235.05413 146.7
[M+HCOO]- 297.05507 174.3
[M+CH3COO]- 311.07072 192.2
[M+Na-2H]- 273.03154 158.5
[M]+ 252.05632 155.2
[M]- 252.05742 155.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe