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]+	397.164576	192.6
[M+Na]+	419.146518	200.6
[M-H]-	395.150024	201.4
[M+NH4]+	414.191123	205.7
[M+K]+	435.120458	200.4
[M+H-H2O]+	379.154560	185.6
[M+HCOO]-	441.155501	203.1
[M+CH3COO]-	455.171151	202.7
[M+Na-2H]-	417.131966	194.3
[M]+	396.15675142	198.7
[M]-	396.15784858	198.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.164576

192.6

[M+Na]+

419.146518

200.6

[M-H]-

395.150024

201.4

[M+NH4]+

414.191123

205.7

[M+K]+

435.120458

200.4

[M+H-H2O]+

379.154560

185.6

[M+HCOO]-

441.155501

203.1

[M+CH3COO]-

455.171151

202.7

[M+Na-2H]-

417.131966

194.3

[M]+

396.15675142

198.7

[M]-

396.15784858

198.7

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