PubChemLite - Erythynone (C24H24O7)

Structural Information

Molecular Formula

SMILES

CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)C4C(O3)COC5=CC(=C(C=C45)OC)OC)C

InChI

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

InChIKey

MFTMKRIDUBXOMI-UHFFFAOYSA-N

Compound name

10,17,18-trimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3,5,9,11,15,17,19-heptaen-13-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	199.5
[M+Na]+	447.14142	209.1
[M-H]-	423.14492	208.5
[M+NH4]+	442.18602	211.6
[M+K]+	463.11536	209.9
[M+H-H2O]+	407.14946	189.1
[M+HCOO]-	469.15040	209.6
[M+CH3COO]-	483.16605	209.4
[M+Na-2H]-	445.12687	205.2
[M]+	424.15165	207.7
[M]-	424.15275	207.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.15948

199.5

[M+Na]+

447.14142

209.1

[M-H]-

423.14492

208.5

[M+NH4]+

442.18602

211.6

[M+K]+

463.11536

209.9

[M+H-H2O]+

407.14946

189.1

[M+HCOO]-

469.15040

209.6

[M+CH3COO]-

483.16605

209.4

[M+Na-2H]-

445.12687

205.2

[M]+

424.15165

207.7

[M]-

424.15275

207.7

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

Erythynone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe