CID 54691229

1h-imidazole-2-sulfonamide, n-(3-(1-(2,5-dihydro-4-hydroxy-2-oxo-5,5-dipropyl-furan-3-yl)2-phenyl-ethyl)phenyl)-1-methyl-

Structural Information

Molecular Formula
C28H33N3O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(CC2=CC=CC=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=CN(C=N4)C)O)CCC
InChI
InChI=1S/C28H33N3O5S/c1-4-14-28(15-5-2)26(32)25(27(33)36-28)23(16-20-10-7-6-8-11-20)21-12-9-13-22(17-21)30-37(34,35)24-18-31(3)19-29-24/h6-13,17-19,23,30,32H,4-5,14-16H2,1-3H3
InChIKey
OHBQQSMBSWEQRB-UHFFFAOYSA-N
Compound name
N-[3-[1-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)-2-phenylethyl]phenyl]-1-methylimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.2141 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.22138 225.3
[M+Na]+ 546.20332 231.2
[M-H]- 522.20682 235.7
[M+NH4]+ 541.24792 232.1
[M+K]+ 562.17726 226.9
[M+H-H2O]+ 506.21136 217.2
[M+HCOO]- 568.21230 238.1
[M+CH3COO]- 582.22795 242.1
[M+Na-2H]- 544.18877 222.5
[M]+ 523.21355 232.0
[M]- 523.21465 232.0
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.