CID 384051

Nsc673161

Structural Information

Molecular Formula
C29H25NO6S
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)OCC6=CC=CC=C6
InChI
InChI=1S/C29H25NO6S/c1-33-21-12-13-23-26(16-21)35-18-25-24-14-20(30-37(31,32)22-10-6-3-7-11-22)15-27(29(24)36-28(23)25)34-17-19-8-4-2-5-9-19/h2-16,25,28,30H,17-18H2,1H3/t25-,28-/m1/s1
InChIKey
ZMDBVFFHSYWXJG-LEAFIULHSA-N
Compound name
N-[(6aS,11aS)-3-methoxy-10-phenylmethoxy-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

515.14026 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.14754 217.4
[M+Na]+ 538.12948 224.1
[M-H]- 514.13298 230.3
[M+NH4]+ 533.17408 225.1
[M+K]+ 554.10342 221.9
[M+H-H2O]+ 498.13752 208.6
[M+HCOO]- 560.13846 229.3
[M+CH3COO]- 574.15411 225.6
[M+Na-2H]- 536.11493 222.7
[M]+ 515.13971 224.2
[M]- 515.14081 224.2
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.