CID 54714107

N-[3-[cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2h-cycloocta[b]pyran-3-yl)methyl]-phenyl]-4-pyridylsulfonamide

Structural Information

Molecular Formula
C26H28N2O5S
SMILES
C1CCCC2=C(CC1)C(=C(C(=O)O2)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=NC=C5)O
InChI
InChI=1S/C26H28N2O5S/c29-25-21-8-3-1-2-4-9-22(21)33-26(30)24(25)23(17-10-11-17)18-6-5-7-19(16-18)28-34(31,32)20-12-14-27-15-13-20/h5-7,12-17,23,28-29H,1-4,8-11H2
InChIKey
UIVCOWYOEXHTRA-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)methyl]phenyl]pyridine-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1719 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.17918 168.0
[M+Na]+ 503.16112 172.1
[M-H]- 479.16462 172.8
[M+NH4]+ 498.20572 168.6
[M+K]+ 519.13506 171.1
[M+H-H2O]+ 463.16916 163.3
[M+HCOO]- 525.17010 173.0
[M+CH3COO]- 539.18575 170.9
[M+Na-2H]- 501.14657 168.2
[M]+ 480.17135 169.1
[M]- 480.17245 169.1
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.