CID 54691022

N-[3-[1-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)butyl]phenyl]pyridine-2-sulfonamide

Structural Information

Molecular Formula
C26H30N2O5S
SMILES
CCCC(C1=CC(=CC=C1)NS(=O)(=O)C2=CC=CC=N2)C3=C(C4=C(CCCCCC4)OC3=O)O
InChI
InChI=1S/C26H30N2O5S/c1-2-10-20(24-25(29)21-13-5-3-4-6-14-22(21)33-26(24)30)18-11-9-12-19(17-18)28-34(31,32)23-15-7-8-16-27-23/h7-9,11-12,15-17,20,28-29H,2-6,10,13-14H2,1H3
InChIKey
NDJZQIFDZSXSGR-UHFFFAOYSA-N
Compound name
N-[3-[1-(4-hydroxy-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyran-3-yl)butyl]phenyl]pyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

482.18753 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.19481 183.6
[M+Na]+ 505.17675 187.0
[M-H]- 481.18025 187.0
[M+NH4]+ 500.22135 185.8
[M+K]+ 521.15069 185.8
[M+H-H2O]+ 465.18479 178.0
[M+HCOO]- 527.18573 187.7
[M+CH3COO]- 541.20138 244.8
[M+Na-2H]- 503.16220 182.2
[M]+ 482.18698 183.9
[M]- 482.18808 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.