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]+ 308.06996 168.9
[M+Na]+ 330.05190 175.5
[M-H]- 306.05540 176.5
[M+NH4]+ 325.09650 183.1
[M+K]+ 346.02584 173.0
[M+H-H2O]+ 290.05994 161.8
[M+HCOO]- 352.06088 188.5
[M+CH3COO]- 366.07653 206.6
[M+Na-2H]- 328.03735 171.3
[M]+ 307.06213 169.8
[M]- 307.06323 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.