CID 374693

Nsc652860

Structural Information

Molecular Formula
C24H22O6Si
SMILES
COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=C(O5)[Si](C)(C)C)C=CC=C4O)OC
InChI
InChI=1S/C24H22O6Si/c1-27-16-9-12-10-18(31(3,4)5)29-22(12)21-20(16)14-11-17(28-2)19-13(7-6-8-15(19)25)23(14)30-24(21)26/h6-11,25H,1-5H3
InChIKey
HOKXZLCKQQDJSW-UHFFFAOYSA-N
Compound name
18-hydroxy-3,20-dimethoxy-7-trimethylsilyl-8,12-dioxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(21),2,4,6,9,13,15,17,19-nonaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.11856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12584 203.2
[M+Na]+ 457.10778 216.6
[M-H]- 433.11128 212.7
[M+NH4]+ 452.15238 216.9
[M+K]+ 473.08172 214.7
[M+H-H2O]+ 417.11582 195.7
[M+HCOO]- 479.11676 220.0
[M+CH3COO]- 493.13241 215.0
[M+Na-2H]- 455.09323 209.7
[M]+ 434.11801 216.5
[M]- 434.11911 216.5
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.