CID 3058874

2-furancarboximidamide, 5-((4-methoxyphenyl)sulfonyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H12N2O4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C(=N)N
InChI
InChI=1S/C12H12N2O4S/c1-17-8-2-4-9(5-3-8)19(15,16)11-7-6-10(18-11)12(13)14/h2-7H,1H3,(H3,13,14)
InChIKey
MEPVRTQKOUXUJL-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)sulfonylfuran-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05908 160.9
[M+Na]+ 303.04102 169.0
[M-H]- 279.04452 168.7
[M+NH4]+ 298.08562 176.8
[M+K]+ 319.01496 166.7
[M+H-H2O]+ 263.04906 154.4
[M+HCOO]- 325.05000 180.8
[M+CH3COO]- 339.06565 198.7
[M+Na-2H]- 301.02647 164.1
[M]+ 280.05125 163.6
[M]- 280.05235 163.6
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.