CID 54691226

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

Structural Information

Molecular Formula
C23H29N3O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=NC=CN4)O)CCC
InChI
InChI=1S/C23H29N3O5S/c1-3-10-23(11-4-2)20(27)19(21(28)31-23)18(15-8-9-15)16-6-5-7-17(14-16)26-32(29,30)22-24-12-13-25-22/h5-7,12-15,18,26-27H,3-4,8-11H2,1-2H3,(H,24,25)
InChIKey
SMGXOXNPCJYWMZ-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]-1H-imidazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.1828 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.19008 199.4
[M+Na]+ 482.17202 206.4
[M-H]- 458.17552 208.4
[M+NH4]+ 477.21662 203.8
[M+K]+ 498.14596 201.5
[M+H-H2O]+ 442.18006 194.2
[M+HCOO]- 504.18100 211.3
[M+CH3COO]- 518.19665 228.1
[M+Na-2H]- 480.15747 198.1
[M]+ 459.18225 206.2
[M]- 459.18335 206.2
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.