PubChemLite - Dihydrorotenone (C23H24O6)

Structural Information

Molecular Formula

SMILES

CC(C)[C@H]1CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)OC)OC

InChI

InChI=1S/C23H24O6/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/h5-7,9,11,16,20-21H,8,10H2,1-4H3/t16-,20-,21+/m1/s1

InChIKey

DTFARBHXORYQBF-HBGVWJBISA-N

Compound name

(1S,6R,13S)-16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-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]+	397.16458	192.3
[M+Na]+	419.14652	205.9
[M+NH4]+	414.19112	200.6
[M+K]+	435.12046	201.8
[M-H]-	395.15002	199.3
[M+Na-2H]-	417.13197	191.3
[M]+	396.15675	196.4
[M]-	396.15785	196.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.16458

192.3

[M+Na]+

419.14652

205.9

[M+NH4]+

414.19112

200.6

[M+K]+

435.12046

201.8

[M-H]-

395.15002

199.3

[M+Na-2H]-

417.13197

191.3

[M]+

396.15675

196.4

[M]-

396.15785

196.4

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

Dihydrorotenone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe