CID 54687964

1h-imidazole-4-sulfonamide, n-[3-(1-(4-hydroxy-2-oxo-5,5-dibenzyl-2,5-dihydro-furan-3-yl)-2,2-dimethyl-propyl)-phenyl]-1-methyl

Structural Information

Molecular Formula
C33H35N3O5S
SMILES
CC(C)(C)C(C1=CC(=CC=C1)NS(=O)(=O)C2=CN(C=N2)C)C3=C(C(OC3=O)(CC4=CC=CC=C4)CC5=CC=CC=C5)O
InChI
InChI=1S/C33H35N3O5S/c1-32(2,3)29(25-16-11-17-26(18-25)35-42(39,40)27-21-36(4)22-34-27)28-30(37)33(41-31(28)38,19-23-12-7-5-8-13-23)20-24-14-9-6-10-15-24/h5-18,21-22,29,35,37H,19-20H2,1-4H3
InChIKey
GYJLDOVGLCNKEB-UHFFFAOYSA-N
Compound name
N-[3-[1-(5,5-dibenzyl-4-hydroxy-2-oxofuran-3-yl)-2,2-dimethylpropyl]phenyl]-1-methylimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

585.22974 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.23702 239.7
[M+Na]+ 608.21896 244.8
[M-H]- 584.22246 253.1
[M+NH4]+ 603.26356 243.3
[M+K]+ 624.19290 240.8
[M+H-H2O]+ 568.22700 230.9
[M+HCOO]- 630.22794 250.5
[M+CH3COO]- 644.24359 252.4
[M+Na-2H]- 606.20441 238.4
[M]+ 585.22919 244.7
[M]- 585.23029 244.7
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.