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 164.6
[M+Na]+ 313.06172 174.4
[M-H]- 289.06522 172.6
[M+NH4]+ 308.10632 179.8
[M+K]+ 329.03566 171.1
[M+H-H2O]+ 273.06976 158.3
[M+HCOO]- 335.07070 180.5
[M+CH3COO]- 349.08635 176.9
[M+Na-2H]- 311.04717 165.4
[M]+ 290.07195 166.9
[M]- 290.07305 166.9
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.