PubChemLite - Nsc675457 (C28H40O5Si)

Structural Information

Molecular Formula

SMILES

CCCC1=CC(=O)OC2=C(C(=C3C=CC(OC3=C12)(C)C)O)[C@H]([C@@H](C)C=C)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C28H40O5Si/c1-11-13-18-16-20(29)31-26-21(18)25-19(14-15-28(7,8)32-25)23(30)22(26)24(17(3)12-2)33-34(9,10)27(4,5)6/h12,14-17,24,30H,2,11,13H2,1,3-10H3/t17-,24-/m0/s1

InChIKey

SMAZCFGMKKDCDS-XDHUDOTRSA-N

Compound name

6-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-enyl]-5-hydroxy-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-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	218.8
[M+Na]+	507.25372	225.4
[M-H]-	483.25722	223.6
[M+NH4]+	502.29832	228.6
[M+K]+	523.22766	224.4
[M+H-H2O]+	467.26176	212.1
[M+HCOO]-	529.26270	227.0
[M+CH3COO]-	543.27835	242.7
[M+Na-2H]-	505.23917	220.6
[M]+	484.26395	227.3
[M]-	484.26505	227.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.27178

218.8

[M+Na]+

507.25372

225.4

[M-H]-

483.25722

223.6

[M+NH4]+

502.29832

228.6

[M+K]+

523.22766

224.4

[M+H-H2O]+

467.26176

212.1

[M+HCOO]-

529.26270

227.0

[M+CH3COO]-

543.27835

242.7

[M+Na-2H]-

505.23917

220.6

[M]+

484.26395

227.3

[M]-

484.26505

227.3

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

Nsc675457

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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