PubChemLite - 135023-19-7 (C26H24O7)

Structural Information

Molecular Formula

SMILES

CC(=CC1C2=C(C3=CC(=C(C=C3O1)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C

InChI

InChI=1S/C26H24O7/c1-12(2)8-20-22-23(29)21-16(28)10-18-13(6-7-26(3,4)33-18)24(21)32-25(22)14-9-15(27)19(30-5)11-17(14)31-20/h6-11,20,27-28H,1-5H3

InChIKey

WQSBCGFYYIWXHK-UHFFFAOYSA-N

Compound name

11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-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]+	449.15948	208.8
[M+Na]+	471.14142	219.3
[M-H]-	447.14492	216.1
[M+NH4]+	466.18602	218.9
[M+K]+	487.11536	218.6
[M+H-H2O]+	431.14946	199.1
[M+HCOO]-	493.15040	217.1
[M+CH3COO]-	507.16605	217.7
[M+Na-2H]-	469.12687	212.7
[M]+	448.15165	216.3
[M]-	448.15275	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

449.15948

208.8

[M+Na]+

471.14142

219.3

[M-H]-

447.14492

216.1

[M+NH4]+

466.18602

218.9

[M+K]+

487.11536

218.6

[M+H-H2O]+

431.14946

199.1

[M+HCOO]-

493.15040

217.1

[M+CH3COO]-

507.16605

217.7

[M+Na-2H]-

469.12687

212.7

[M]+

448.15165

216.3

[M]-

448.15275

216.3

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

135023-19-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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