CID 54691234

2-pyridinesulfonamide, n-(3-(cyclopropyl (2,5-dihydro-4-hydroxy-2-oxo-5,5-dipropyl-2,5-dihydro-furan-3-yl)-phenyl)-

Structural Information

Molecular Formula
C25H30N2O5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC=N4)O)CCC
InChI
InChI=1S/C25H30N2O5S/c1-3-13-25(14-4-2)23(28)22(24(29)32-25)21(17-11-12-17)18-8-7-9-19(16-18)27-33(30,31)20-10-5-6-15-26-20/h5-10,15-17,21,27-28H,3-4,11-14H2,1-2H3
InChIKey
HUIREVVOBZNRPC-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]pyridine-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.18753 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.19481 203.6
[M+Na]+ 493.17675 210.3
[M-H]- 469.18025 214.3
[M+NH4]+ 488.22135 207.5
[M+K]+ 509.15069 206.1
[M+H-H2O]+ 453.18479 196.7
[M+HCOO]- 515.18573 216.7
[M+CH3COO]- 529.20138 233.3
[M+Na-2H]- 491.16220 204.0
[M]+ 470.18698 211.2
[M]- 470.18808 211.2
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.