CID 3058894

Brn 4572929

Structural Information

Molecular Formula
C17H11N3O5S
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(O3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H11N3O5S/c21-20(22)11-5-7-12(8-6-11)26(23,24)16-10-9-15(25-16)17-18-13-3-1-2-4-14(13)19-17/h1-10H,(H,18,19)
InChIKey
ANSXTZGIOSCUQZ-UHFFFAOYSA-N
Compound name
2-[5-(4-nitrophenyl)sulfonylfuran-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.04193 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.04921 181.4
[M+Na]+ 392.03115 190.5
[M-H]- 368.03465 191.2
[M+NH4]+ 387.07575 192.8
[M+K]+ 408.00509 182.4
[M+H-H2O]+ 352.03919 178.8
[M+HCOO]- 414.04013 199.3
[M+CH3COO]- 428.05578 201.2
[M+Na-2H]- 390.01660 188.3
[M]+ 369.04138 184.2
[M]- 369.04248 184.2
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.