CID 3058888

Brn 4493885

Structural Information

Molecular Formula
C14H14N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)C3=NCCN3
InChI
InChI=1S/C14H14N2O3S/c1-10-2-4-11(5-3-10)20(17,18)13-7-6-12(19-13)14-15-8-9-16-14/h2-7H,8-9H2,1H3,(H,15,16)
InChIKey
KQRAPLWSPDOJBD-UHFFFAOYSA-N
Compound name
2-[5-(4-methylphenyl)sulfonylfuran-2-yl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0725 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07978 163.9
[M+Na]+ 313.06172 175.7
[M+NH4]+ 308.10632 170.8
[M+K]+ 329.03566 172.6
[M-H]- 289.06522 167.7
[M+Na-2H]- 311.04717 170.2
[M]+ 290.07195 167.0
[M]- 290.07305 167.0
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.