PubChemLite - 12a-methoxyrotenone (C24H24O7)

Structural Information

Molecular Formula

SMILES

CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)OC)OC)OC

InChI

InChI=1S/C24H24O7/c1-12(2)17-8-14-16(30-17)7-6-13-22(14)31-21-11-29-18-10-20(27-4)19(26-3)9-15(18)24(21,28-5)23(13)25/h6-7,9-10,17,21H,1,8,11H2,2-5H3

InChIKey

KHDBBFYQRTYKSB-UHFFFAOYSA-N

Compound name

13,16,17-trimethoxy-6-prop-1-en-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]+	425.15948	197.8
[M+Na]+	447.14142	206.4
[M-H]-	423.14492	206.5
[M+NH4]+	442.18602	211.5
[M+K]+	463.11536	206.5
[M+H-H2O]+	407.14946	190.5
[M+HCOO]-	469.15040	208.0
[M+CH3COO]-	483.16605	207.7
[M+Na-2H]-	445.12687	200.6
[M]+	424.15165	205.3
[M]-	424.15275	205.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.15948

197.8

[M+Na]+

447.14142

206.4

[M-H]-

423.14492

206.5

[M+NH4]+

442.18602

211.5

[M+K]+

463.11536

206.5

[M+H-H2O]+

407.14946

190.5

[M+HCOO]-

469.15040

208.0

[M+CH3COO]-

483.16605

207.7

[M+Na-2H]-

445.12687

200.6

[M]+

424.15165

205.3

[M]-

424.15275

205.3

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

12a-methoxyrotenone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe