CID 483302

Chembl68986

Structural Information

Molecular Formula
C22H26FN3O3S
SMILES
CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=C(C=C2)F)CC3=CN=CN3
InChI
InChI=1S/C22H26FN3O3S/c1-2-3-14-29-21-8-10-22(11-9-21)30(27,28)26(16-20-15-24-17-25-20)13-12-18-4-6-19(23)7-5-18/h4-11,15,17H,2-3,12-14,16H2,1H3,(H,24,25)
InChIKey
JFQKMNMVYDRZMH-UHFFFAOYSA-N
Compound name
4-butoxy-N-[2-(4-fluorophenyl)ethyl]-N-(1H-imidazol-5-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

431.16788 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17516 202.0
[M+Na]+ 454.15710 207.7
[M-H]- 430.16060 207.6
[M+NH4]+ 449.20170 210.5
[M+K]+ 470.13104 201.6
[M+H-H2O]+ 414.16514 191.0
[M+HCOO]- 476.16608 216.6
[M+CH3COO]- 490.18173 226.0
[M+Na-2H]- 452.14255 201.9
[M]+ 431.16733 206.0
[M]- 431.16843 206.0
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.