CID 54691212

1h-imidazole-4-sulfonamide, n-[3-(cyclopropyl (2,5-dihydro-4-hydroxy-2-oxo-5,5-dipropyl-3-furanyl)methyl]phenyl-1-methyl-

Structural Information

Molecular Formula
C24H31N3O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CN(C=N4)C)O)CCC
InChI
InChI=1S/C24H31N3O5S/c1-4-11-24(12-5-2)22(28)21(23(29)32-24)20(16-9-10-16)17-7-6-8-18(13-17)26-33(30,31)19-14-27(3)15-25-19/h6-8,13-16,20,26,28H,4-5,9-12H2,1-3H3
InChIKey
WKGWFOZXNWSSOD-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]-1-methylimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.19846 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.20574 205.1
[M+Na]+ 496.18768 212.8
[M-H]- 472.19118 215.5
[M+NH4]+ 491.23228 209.8
[M+K]+ 512.16162 208.4
[M+H-H2O]+ 456.19572 199.7
[M+HCOO]- 518.19666 217.9
[M+CH3COO]- 532.21231 234.1
[M+Na-2H]- 494.17313 202.9
[M]+ 473.19791 214.2
[M]- 473.19901 214.2
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.