PubChemLite - Nsc652863 (C24H22O6Si)

Structural Information

Molecular Formula

SMILES

COC1=C2C(=C3C(=C1)C4=C(C=C5C=C(OC5=C4OC)[Si](C)(C)C)C(=O)O3)C=CC=C2O

InChI

InChI=1S/C24H22O6Si/c1-27-17-11-14-19-15(24(26)30-22(14)13-7-6-8-16(25)20(13)17)9-12-10-18(31(3,4)5)29-21(12)23(19)28-2/h6-11,25H,1-5H3

InChIKey

XFYXOHCMSUSCEW-UHFFFAOYSA-N

Compound name

18-hydroxy-3,20-dimethoxy-6-trimethylsilyl-5,12-dioxapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2(10),3,6,8,13,15,17,19-nonaen-11-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Adduct

m/z

Predicted CCS (Å²)

[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 (Å²) per adduct calculated using CCSbase.

Nsc652863

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe