CID 16788138

953732-42-8

Structural Information

Molecular Formula
C11H12N2O3S
SMILES
C1=CC=C(C(=C1)N)S(=O)(=O)NCC2=CC=CO2
InChI
InChI=1S/C11H12N2O3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8,12H2
InChIKey
CGJSCNSPWZXPHW-UHFFFAOYSA-N
Compound name
2-amino-N-(furan-2-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.05687 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.