CID 374692

Nsc652859

Structural Information

Molecular Formula
C31H28O6Si
SMILES
COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=C(O5)[Si](C)(C)C)C=CC=C4OCC6=CC=CC=C6)OC
InChI
InChI=1S/C31H28O6Si/c1-33-23-14-19-15-25(38(3,4)5)36-29(19)28-27(23)21-16-24(34-2)26-20(30(21)37-31(28)32)12-9-13-22(26)35-17-18-10-7-6-8-11-18/h6-16H,17H2,1-5H3
InChIKey
QKKWAAGASGDMQR-UHFFFAOYSA-N
Compound name
3,20-dimethoxy-18-phenylmethoxy-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

524.1655 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.17278 231.2
[M+Na]+ 547.15472 242.5
[M-H]- 523.15822 244.0
[M+NH4]+ 542.19932 240.7
[M+K]+ 563.12866 240.3
[M+H-H2O]+ 507.16276 220.5
[M+HCOO]- 569.16370 247.6
[M+CH3COO]- 583.17935 240.8
[M+Na-2H]- 545.14017 235.4
[M]+ 524.16495 244.7
[M]- 524.16605 244.7
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.