PubChemLite - (1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(12h)-one, 1,2-dihydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2r)- (C23H20O6)

Structural Information

Molecular Formula

SMILES

CC(=C)[C@H]1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC

InChI

InChI=1S/C23H20O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16H,1,8,10H2,2-4H3/t16-/m1/s1

InChIKey

GFERNZCCTZEIET-MRXNPFEDSA-N

Compound name

(6R)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-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]+	393.13326	189.8
[M+Na]+	415.11520	205.3
[M+NH4]+	410.15980	198.0
[M+K]+	431.08914	200.6
[M-H]-	391.11870	197.0
[M+Na-2H]-	413.10065	190.4
[M]+	392.12543	194.3
[M]-	392.12653	194.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

393.13326

189.8

[M+Na]+

415.11520

205.3

[M+NH4]+

410.15980

198.0

[M+K]+

431.08914

200.6

[M-H]-

391.11870

197.0

[M+Na-2H]-

413.10065

190.4

[M]+

392.12543

194.3

[M]-

392.12653

194.3

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

(1)benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(12h)-one, 1,2-dihydro-8,9-dimethoxy-2-(1-methylethenyl)-, (2r)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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