CID 54691209

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

Structural Information

Molecular Formula
C27H30N2O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C#N)O)CCC
InChI
InChI=1S/C27H30N2O5S/c1-3-14-27(15-4-2)25(30)24(26(31)34-27)23(19-10-11-19)20-6-5-7-21(16-20)29-35(32,33)22-12-8-18(17-28)9-13-22/h5-9,12-13,16,19,23,29-30H,3-4,10-11,14-15H2,1-2H3
InChIKey
BNIHDZYKAJWCRH-UHFFFAOYSA-N
Compound name
4-cyano-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

494.18753 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.19481 215.3
[M+Na]+ 517.17675 228.8
[M-H]- 493.18025 226.9
[M+NH4]+ 512.22135 220.9
[M+K]+ 533.15069 219.8
[M+H-H2O]+ 477.18479 205.3
[M+HCOO]- 539.18573 227.4
[M+CH3COO]- 553.20138 244.7
[M+Na-2H]- 515.16220 215.3
[M]+ 494.18698 219.2
[M]- 494.18808 219.2
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.