PubChemLite - Heliocide h2 (C25H30O5)

Structural Information

Molecular Formula

SMILES

CC(C)C1=C2C(=C(C(=C1O)O)C=O)C(=O)C3CC(=CCC3(C2=O)C)CCC=C(C)C

InChI

InChI=1S/C25H30O5/c1-13(2)7-6-8-15-9-10-25(5)17(11-15)22(28)19-16(12-26)21(27)23(29)18(14(3)4)20(19)24(25)30/h7,9,12,14,17,27,29H,6,8,10-11H2,1-5H3

InChIKey

BSQZWSGAKJSBOZ-UHFFFAOYSA-N

Compound name

2,3-dihydroxy-10a-methyl-7-(4-methylpent-3-enyl)-9,10-dioxo-4-propan-2-yl-8,8a-dihydro-5H-anthracene-1-carbaldehyde

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]+	411.21660	199.0
[M+Na]+	433.19854	209.8
[M+NH4]+	428.24314	205.5
[M+K]+	449.17248	202.1
[M-H]-	409.20204	199.1
[M+Na-2H]-	431.18399	199.5
[M]+	410.20877	200.5
[M]-	410.20987	200.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.21660

199.0

[M+Na]+

433.19854

209.8

[M+NH4]+

428.24314

205.5

[M+K]+

449.17248

202.1

[M-H]-

409.20204

199.1

[M+Na-2H]-

431.18399

199.5

[M]+

410.20877

200.5

[M]-

410.20987

200.5

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

Heliocide h2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe