PubChemLite - Riccardin c (C28H24O4)

Structural Information

Molecular Formula

SMILES

C1CC2=C(C=CC(=C2)O)C3=C(C=C(CCC4=CC(=C(C=C4)O)OC5=CC=C1C=C5)C=C3)O

InChI

InChI=1S/C28H24O4/c29-22-9-13-24-21(17-22)8-3-18-4-10-23(11-5-18)32-28-16-20(7-14-26(28)30)2-1-19-6-12-25(24)27(31)15-19/h4-7,9-17,29-31H,1-3,8H2

InChIKey

JMKSVONWZFVEAI-UHFFFAOYSA-N

Compound name

14-oxapentacyclo[20.2.2.210,13.115,19.02,7]nonacosa-1(24),2(7),3,5,10(29),11,13(28),15,17,19(27),22,25-dodecaene-5,16,24-triol

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]+	425.17473	199.6
[M+Na]+	447.15667	193.8
[M-H]-	423.16017	180.7
[M+NH4]+	442.20127	204.1
[M+K]+	463.13061	196.2
[M+H-H2O]+	407.16471	198.6
[M+HCOO]-	469.16565	191.9
[M+CH3COO]-	483.18130	196.7
[M+Na-2H]-	445.14212	205.3
[M]+	424.16690	195.9
[M]-	424.16800	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.17473

199.6

[M+Na]+

447.15667

193.8

[M-H]-

423.16017

180.7

[M+NH4]+

442.20127

204.1

[M+K]+

463.13061

196.2

[M+H-H2O]+

407.16471

198.6

[M+HCOO]-

469.16565

191.9

[M+CH3COO]-

483.18130

196.7

[M+Na-2H]-

445.14212

205.3

[M]+

424.16690

195.9

[M]-

424.16800

195.9

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

Riccardin c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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