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]+ 322.04921 164.4
[M+Na]+ 344.03115 175.6
[M+NH4]+ 339.07575 170.1
[M+K]+ 360.00509 176.5
[M-H]- 320.03465 168.5
[M+Na-2H]- 342.01660 170.2
[M]+ 321.04138 167.2
[M]- 321.04248 167.2
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.