CID 54687960

8-quinolinesulfonamide, n-[3-(cyclopropyl(4-hydroxy-2-oxo-5,5-dibenzyl-2,5-dihydro-3-furanyl)-methyl)-phenyl]-

Structural Information

Molecular Formula
C37H32N2O5S
SMILES
C1CC1C(C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)C5=C(C(OC5=O)(CC6=CC=CC=C6)CC7=CC=CC=C7)O
InChI
InChI=1S/C37H32N2O5S/c40-35-33(36(41)44-37(35,23-25-10-3-1-4-11-25)24-26-12-5-2-6-13-26)32(27-19-20-27)29-15-7-17-30(22-29)39-45(42,43)31-18-8-14-28-16-9-21-38-34(28)31/h1-18,21-22,27,32,39-40H,19-20,23-24H2
InChIKey
SLODLCWMZNCAPZ-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(5,5-dibenzyl-4-hydroxy-2-oxofuran-3-yl)methyl]phenyl]quinoline-8-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.2032 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.21048 232.5
[M+Na]+ 639.19242 237.9
[M-H]- 615.19592 248.0
[M+NH4]+ 634.23702 230.1
[M+K]+ 655.16636 233.8
[M+H-H2O]+ 599.20046 222.9
[M+HCOO]- 661.20140 243.8
[M+CH3COO]- 675.21705 237.8
[M+Na-2H]- 637.17787 234.0
[M]+ 616.20265 237.0
[M]- 616.20375 237.0
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.