CID 54691220

Benzenesulfonamide, n-[3-(1-(2,5-dihydro-4-hydroxy-2-oxo-5-(phenylmethyl)-5-propyl-3-furanyl )-2-methylpropyl)-phenyl-

Structural Information

Molecular Formula
C30H33NO5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3)C(C)C)O)CC4=CC=CC=C4
InChI
InChI=1S/C30H33NO5S/c1-4-18-30(20-22-12-7-5-8-13-22)28(32)27(29(33)36-30)26(21(2)3)23-14-11-15-24(19-23)31-37(34,35)25-16-9-6-10-17-25/h5-17,19,21,26,31-32H,4,18,20H2,1-3H3
InChIKey
JAIIUWLIINBUNL-UHFFFAOYSA-N
Compound name
N-[3-[1-(5-benzyl-4-hydroxy-2-oxo-5-propylfuran-3-yl)-2-methylpropyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.20795 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.21523 226.6
[M+Na]+ 542.19717 230.7
[M-H]- 518.20067 238.2
[M+NH4]+ 537.24177 233.7
[M+K]+ 558.17111 226.6
[M+H-H2O]+ 502.20521 217.9
[M+HCOO]- 564.20615 239.2
[M+CH3COO]- 578.22180 242.6
[M+Na-2H]- 540.18262 225.0
[M]+ 519.20740 231.0
[M]- 519.20850 231.0
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.