CID 3058878

75745-70-9

Structural Information

Molecular Formula
C13H13N3O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C(=N)N
InChI
InChI=1S/C13H13N3O4S/c1-8(17)16-9-2-4-10(5-3-9)21(18,19)12-7-6-11(20-12)13(14)15/h2-7H,1H3,(H3,14,15)(H,16,17)
InChIKey
IIBOGPCHWKGZFP-UHFFFAOYSA-N
Compound name
N-[4-(5-carbamimidoylfuran-2-yl)sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.06268 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.069956 168.9
[M+Na]+ 330.051898 175.5
[M-H]- 306.055404 176.5
[M+NH4]+ 325.096503 183.1
[M+K]+ 346.025838 173.0
[M+H-H2O]+ 290.059940 161.8
[M+HCOO]- 352.060881 188.5
[M+CH3COO]- 366.076531 206.6
[M+Na-2H]- 328.037346 171.3
[M]+ 307.06213142 169.8
[M]- 307.06322858 169.8
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.