PubChemLite - Euchrenone a14 (C30H32O5)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=CC5=C(C=C4)OC(C=C5)(C)C)O)C=CC(O2)(C)C)C

InChI

InChI=1S/C30H32O5/c1-17(2)7-9-21-27-20(12-14-30(5,6)35-27)26(32)25-22(31)16-24(33-28(21)25)18-8-10-23-19(15-18)11-13-29(3,4)34-23/h7-8,10-15,24,32H,9,16H2,1-6H3

InChIKey

HTCARADXGJIOML-UHFFFAOYSA-N

Compound name

8-(2,2-dimethylchromen-6-yl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-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]+	473.23226	219.1
[M+Na]+	495.21420	227.6
[M-H]-	471.21770	228.5
[M+NH4]+	490.25880	229.6
[M+K]+	511.18814	225.7
[M+H-H2O]+	455.22224	208.3
[M+HCOO]-	517.22318	226.3
[M+CH3COO]-	531.23883	227.0
[M+Na-2H]-	493.19965	220.2
[M]+	472.22443	222.6
[M]-	472.22553	222.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.23226

219.1

[M+Na]+

495.21420

227.6

[M-H]-

471.21770

228.5

[M+NH4]+

490.25880

229.6

[M+K]+

511.18814

225.7

[M+H-H2O]+

455.22224

208.3

[M+HCOO]-

517.22318

226.3

[M+CH3COO]-

531.23883

227.0

[M+Na-2H]-

493.19965

220.2

[M]+

472.22443

222.6

[M]-

472.22553

222.6

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

Euchrenone a14

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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