CID 16227211

4-(5-formylfuran-2-yl)-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C12H11NO4S
SMILES
CNS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O
InChI
InChI=1S/C12H11NO4S/c1-13-18(15,16)11-5-2-9(3-6-11)12-7-4-10(8-14)17-12/h2-8,13H,1H3
InChIKey
UMXYHHTUJITSCV-UHFFFAOYSA-N
Compound name
4-(5-formylfuran-2-yl)-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0409 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04818 156.3
[M+Na]+ 288.03012 166.0
[M-H]- 264.03362 164.9
[M+NH4]+ 283.07472 173.8
[M+K]+ 304.00406 163.5
[M+H-H2O]+ 248.03816 150.4
[M+HCOO]- 310.03910 177.2
[M+CH3COO]- 324.05475 193.2
[M+Na-2H]- 286.01557 161.0
[M]+ 265.04035 161.5
[M]- 265.04145 161.5
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

No patent data available for this compound.