PubChemLite - Nsc675455 (C28H40O5Si)

Structural Information

Molecular Formula

SMILES

CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2[C@H]([C@H]([C@@H](O4)C)C)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C28H40O5Si/c1-11-12-18-15-20(29)31-26-21(18)25-19(13-14-28(7,8)32-25)24-22(26)23(16(2)17(3)30-24)33-34(9,10)27(4,5)6/h13-17,23H,11-12H2,1-10H3/t16-,17-,23-/m0/s1

InChIKey

ICSKHDNQGFSEQG-QQMNAOGKSA-N

Compound name

(16S,17S,18S)-18-[tert-butyl(dimethyl)silyl]oxy-10,10,16,17-tetramethyl-6-propyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-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]+	485.27178	221.3
[M+Na]+	507.25372	229.7
[M-H]-	483.25722	229.0
[M+NH4]+	502.29832	231.7
[M+K]+	523.22766	229.9
[M+H-H2O]+	467.26176	213.1
[M+HCOO]-	529.26270	228.2
[M+CH3COO]-	543.27835	245.6
[M+Na-2H]-	505.23917	225.3
[M]+	484.26395	230.3
[M]-	484.26505	230.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.27178

221.3

[M+Na]+

507.25372

229.7

[M-H]-

483.25722

229.0

[M+NH4]+

502.29832

231.7

[M+K]+

523.22766

229.9

[M+H-H2O]+

467.26176

213.1

[M+HCOO]-

529.26270

228.2

[M+CH3COO]-

543.27835

245.6

[M+Na-2H]-

505.23917

225.3

[M]+

484.26395

230.3

[M]-

484.26505

230.3

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

Nsc675455

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe