CID 54691211

Benzenesulfonamide, n-[3-[cyclopropyl (2,5-dihydro-4-hydroxy-2-oxo-5,5-dipropyl-3-furanyl)methyl]phenyl]-4-fluoro-

Structural Information

Molecular Formula
C26H30FNO5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)F)O)CCC
InChI
InChI=1S/C26H30FNO5S/c1-3-14-26(15-4-2)24(29)23(25(30)33-26)22(17-8-9-17)18-6-5-7-20(16-18)28-34(31,32)21-12-10-19(27)11-13-21/h5-7,10-13,16-17,22,28-29H,3-4,8-9,14-15H2,1-2H3
InChIKey
TVCUNUYOFSYHCD-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.18286 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.19014 202.0
[M+Na]+ 510.17208 209.0
[M-H]- 486.17558 212.8
[M+NH4]+ 505.21668 206.8
[M+K]+ 526.14602 204.6
[M+H-H2O]+ 470.18012 195.0
[M+HCOO]- 532.18106 214.9
[M+CH3COO]- 546.19671 237.3
[M+Na-2H]- 508.15753 201.4
[M]+ 487.18231 209.2
[M]- 487.18341 209.2
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.