PubChemLite - Vismiaphenone g (C24H28O6)

Structural Information

Molecular Formula

SMILES

CC(=CCC1=C(C(=C(C(=C1OC)C[C@H]2C(O2)(C)C)O)C(=O)C3=CC=C(C=C3)O)O)C

InChI

InChI=1S/C24H28O6/c1-13(2)6-11-16-21(27)19(20(26)14-7-9-15(25)10-8-14)22(28)17(23(16)29-5)12-18-24(3,4)30-18/h6-10,18,25,27-28H,11-12H2,1-5H3/t18-/m0/s1

InChIKey

HONWZIFLOYHCME-SFHVURJKSA-N

Compound name

[3-[[(2S)-3,3-dimethyloxiran-2-yl]methyl]-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-(4-hydroxyphenyl)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]+	413.19588	190.9
[M+Na]+	435.17782	200.1
[M-H]-	411.18132	199.0
[M+NH4]+	430.22242	196.5
[M+K]+	451.15176	196.6
[M+H-H2O]+	395.18586	184.6
[M+HCOO]-	457.18680	206.0
[M+CH3COO]-	471.20245	225.6
[M+Na-2H]-	433.16327	189.0
[M]+	412.18805	199.5
[M]-	412.18915	199.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.19588

190.9

[M+Na]+

435.17782

200.1

[M-H]-

411.18132

199.0

[M+NH4]+

430.22242

196.5

[M+K]+

451.15176

196.6

[M+H-H2O]+

395.18586

184.6

[M+HCOO]-

457.18680

206.0

[M+CH3COO]-

471.20245

225.6

[M+Na-2H]-

433.16327

189.0

[M]+

412.18805

199.5

[M]-

412.18915

199.5

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

Vismiaphenone g

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe