CID 54714105

N-[3-[cyclopropyl-[4-hydroxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-oxo-chromen-3-yl]methyl]phenyl]quinoline-2-sulfonamide

Structural Information

Molecular Formula
C35H36N2O9S
SMILES
COCCOCCOCCOC1=CC2=C(C=C1)C(=C(C(=O)O2)C(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=NC6=CC=CC=C6C=C5)O
InChI
InChI=1S/C35H36N2O9S/c1-42-15-16-43-17-18-44-19-20-45-27-12-13-28-30(22-27)46-35(39)33(34(28)38)32(24-9-10-24)25-6-4-7-26(21-25)37-47(40,41)31-14-11-23-5-2-3-8-29(23)36-31/h2-8,11-14,21-22,24,32,37-38H,9-10,15-20H2,1H3
InChIKey
BLICERLJQJPCRV-UHFFFAOYSA-N
Compound name
N-[3-[cyclopropyl-[4-hydroxy-7-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-oxochromen-3-yl]methyl]phenyl]quinoline-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

660.2142 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 661.22148 246.6
[M+Na]+ 683.20342 251.0
[M-H]- 659.20692 257.0
[M+NH4]+ 678.24802 240.0
[M+K]+ 699.17736 248.2
[M+H-H2O]+ 643.21146 234.8
[M+HCOO]- 705.21240 257.5
[M+CH3COO]- 719.22805 267.6
[M+Na-2H]- 681.18887 251.1
[M]+ 660.21365 260.4
[M]- 660.21475 260.4
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.