CID 3058890

75745-83-4

Structural Information

Molecular Formula
C13H11N3O5S
SMILES
C1CN=C(N1)C2=CC=C(O2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H11N3O5S/c17-16(18)9-1-3-10(4-2-9)22(19,20)12-6-5-11(21-12)13-14-7-8-15-13/h1-6H,7-8H2,(H,14,15)
InChIKey
GIRHYUQGZIBEDT-UHFFFAOYSA-N
Compound name
2-[5-(4-nitrophenyl)sulfonylfuran-2-yl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.04193 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.049206 169.1
[M+Na]+ 344.031148 176.3
[M-H]- 320.034654 177.2
[M+NH4]+ 339.075753 181.4
[M+K]+ 360.005088 169.4
[M+H-H2O]+ 304.039190 166.7
[M+HCOO]- 366.040131 186.0
[M+CH3COO]- 380.055781 190.7
[M+Na-2H]- 342.016596 174.0
[M]+ 321.04138142 168.6
[M]- 321.04247858 168.6
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.