CID 3058889

75745-82-3

Structural Information

Molecular Formula
C14H14N2O4S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C3=NCCN3
InChI
InChI=1S/C14H14N2O4S/c1-19-10-2-4-11(5-3-10)21(17,18)13-7-6-12(20-13)14-15-8-9-16-14/h2-7H,8-9H2,1H3,(H,15,16)
InChIKey
KVJOBUNTFPHCGK-UHFFFAOYSA-N
Compound name
2-[5-(4-methoxyphenyl)sulfonylfuran-2-yl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0674 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.07468 167.5
[M+Na]+ 329.05662 176.9
[M-H]- 305.06012 175.5
[M+NH4]+ 324.10122 181.8
[M+K]+ 345.03056 174.2
[M+H-H2O]+ 289.06466 161.1
[M+HCOO]- 351.06560 183.6
[M+CH3COO]- 365.08125 194.5
[M+Na-2H]- 327.04207 168.5
[M]+ 306.06685 171.1
[M]- 306.06795 171.1
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.