CID 54691214

1-naphthalenesulfonamide, n-[3-(cyclopropyl (2,5-dihydro-4-hydroxy-2-oxo-5,5-dipropyl-3-furanyl)methyl)phenyl]-

Structural Information

Molecular Formula
C30H33NO5S
SMILES
CCCC1(C(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC5=CC=CC=C54)O)CCC
InChI
InChI=1S/C30H33NO5S/c1-3-17-30(18-4-2)28(32)27(29(33)36-30)26(21-15-16-21)22-11-7-12-23(19-22)31-37(34,35)25-14-8-10-20-9-5-6-13-24(20)25/h5-14,19,21,26,31-32H,3-4,15-18H2,1-2H3
InChIKey
YNUJKMNWMPFPML-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-(4-hydroxy-2-oxo-5,5-dipropylfuran-3-yl)methyl]phenyl]naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.20795 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.21523 213.6
[M+Na]+ 542.19717 220.1
[M-H]- 518.20067 225.8
[M+NH4]+ 537.24177 217.8
[M+K]+ 558.17111 215.9
[M+H-H2O]+ 502.20521 207.0
[M+HCOO]- 564.20615 225.8
[M+CH3COO]- 578.22180 243.9
[M+Na-2H]- 540.18262 214.4
[M]+ 519.20740 221.7
[M]- 519.20850 221.7
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.