CID 384050

Nsc673160

Structural Information

Molecular Formula
C23H21NO6S
SMILES
COC1=CC2=C(C=C1)[C@@H]3[C@H](CO2)C4=C(O3)C(=CC(=C4)NS(=O)(=O)C5=CC=CC=C5)OC
InChI
InChI=1S/C23H21NO6S/c1-27-15-8-9-17-20(12-15)29-13-19-18-10-14(11-21(28-2)23(18)30-22(17)19)24-31(25,26)16-6-4-3-5-7-16/h3-12,19,22,24H,13H2,1-2H3/t19-,22-/m1/s1
InChIKey
CUMALWRSNVDMRC-DENIHFKCSA-N
Compound name
N-[(6aS,11aS)-3,10-dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.10895 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.11623 198.0
[M+Na]+ 462.09817 206.3
[M-H]- 438.10167 208.7
[M+NH4]+ 457.14277 209.6
[M+K]+ 478.07211 204.9
[M+H-H2O]+ 422.10621 191.1
[M+HCOO]- 484.10715 210.8
[M+CH3COO]- 498.12280 208.1
[M+Na-2H]- 460.08362 204.4
[M]+ 439.10840 206.0
[M]- 439.10950 206.0
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.