CID 3058893

Brn 4562898

Structural Information

Molecular Formula
C18H14N2O4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C18H14N2O4S/c1-23-12-6-8-13(9-7-12)25(21,22)17-11-10-16(24-17)18-19-14-4-2-3-5-15(14)20-18/h2-11H,1H3,(H,19,20)
InChIKey
VTQSQAZDUNGYDE-UHFFFAOYSA-N
Compound name
2-[5-(4-methoxyphenyl)sulfonylfuran-2-yl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07468 180.3
[M+Na]+ 377.05662 192.3
[M-H]- 353.06012 190.2
[M+NH4]+ 372.10122 194.0
[M+K]+ 393.03056 188.1
[M+H-H2O]+ 337.06466 174.0
[M+HCOO]- 399.06560 197.7
[M+CH3COO]- 413.08125 192.7
[M+Na-2H]- 375.04207 183.4
[M]+ 354.06685 187.5
[M]- 354.06795 187.5
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.