CID 54687950

N-[3-[1-(4-hydroxy-2-oxo-5,5-dipropyl-3-furyl)propyl]phenyl]benzenesulfonamide

Structural Information

Molecular Formula
C25H31NO5S
SMILES
CCCC1(C(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3)O)CCC
InChI
InChI=1S/C25H31NO5S/c1-4-15-25(16-5-2)23(27)22(24(28)31-25)21(6-3)18-11-10-12-19(17-18)26-32(29,30)20-13-8-7-9-14-20/h7-14,17,21,26-27H,4-6,15-16H2,1-3H3
InChIKey
DKNGRCZSNYVBDM-UHFFFAOYSA-N
Compound name
N-[3-[1-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)propyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.1923 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.19958 210.2
[M+Na]+ 480.18152 215.6
[M-H]- 456.18502 219.0
[M+NH4]+ 475.22612 220.6
[M+K]+ 496.15546 211.6
[M+H-H2O]+ 440.18956 202.9
[M+HCOO]- 502.19050 224.2
[M+CH3COO]- 516.20615 231.0
[M+Na-2H]- 478.16697 209.7
[M]+ 457.19175 216.2
[M]- 457.19285 216.2
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.