PubChemLite - Kuwanon y (C34H30O9)

Structural Information

Molecular Formula

SMILES

CC1=CC(C(C(C1)C2=C(C=C(C=C2)O)O)C(=O)C3=C(C=C(C=C3)O)O)C4=C(C=C(C=C4O)/C=C/C5=C(C=C(C=C5)O)O)O

InChI

InChI=1S/C34H30O9/c1-17-10-25(23-8-6-21(36)15-28(23)39)32(34(43)24-9-7-22(37)16-29(24)40)26(11-17)33-30(41)12-18(13-31(33)42)2-3-19-4-5-20(35)14-27(19)38/h2-9,11-16,25-26,32,35-42H,10H2,1H3/b3-2+

InChIKey

YYUHPJKWIHNMSV-NSCUHMNNSA-N

Compound name

(2,4-dihydroxyphenyl)-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone

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]+	583.19624	246.1
[M+Na]+	605.17818	259.7
[M+NH4]+	600.22278	248.0
[M+K]+	621.15212	254.5
[M-H]-	581.18168	251.7
[M+Na-2H]-	603.16363	250.7
[M]+	582.18841	249.4
[M]-	582.18951	249.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.19624

246.1

[M+Na]+

605.17818

259.7

[M+NH4]+

600.22278

248.0

[M+K]+

621.15212

254.5

[M-H]-

581.18168

251.7

[M+Na-2H]-

603.16363

250.7

[M]+

582.18841

249.4

[M]-

582.18951

249.4

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

Kuwanon y

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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