CID 54691210

N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropyl-3-furyl)methyl]phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C26H31NO5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=C4)O)CCC
InChI
InChI=1S/C26H31NO5S/c1-3-15-26(16-4-2)24(28)23(25(29)32-26)22(18-13-14-18)19-9-8-10-20(17-19)27-33(30,31)21-11-6-5-7-12-21/h5-12,17-18,22,27-28H,3-4,13-16H2,1-2H3
InChIKey
ASWCEBGKKBWXNW-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.1923 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.19958 200.8
[M+Na]+ 492.18152 207.1
[M-H]- 468.18502 212.7
[M+NH4]+ 487.22612 206.1
[M+K]+ 508.15546 203.3
[M+H-H2O]+ 452.18956 194.6
[M+HCOO]- 514.19050 214.8
[M+CH3COO]- 528.20615 233.5
[M+Na-2H]- 490.16697 201.2
[M]+ 469.19175 208.5
[M]- 469.19285 208.5
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.