Compound np-006784 (C24H28O8)

Structural Information

Molecular Formula

SMILES

CC1C(=O)C2C3C(O1)OC(=O)C3(CC4=C(C5=C(CC(=O)C24C)C(OC(=O)C5)(C)C)CO)C

InChI

InChI=1S/C24H28O8/c1-10-19(28)17-18-20(30-10)31-21(29)23(18,4)8-14-12(9-25)11-6-16(27)32-22(2,3)13(11)7-15(26)24(14,17)5/h10,17-18,20,25H,6-9H2,1-5H3

InChIKey

JIEVZPUBUDASNE-UHFFFAOYSA-N

Compound name

11-(hydroxymethyl)-2,6,6,14,19-pentamethyl-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-5(10),11-diene-3,8,15,20-tetrone

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]+	445.185676	195.6
[M+Na]+	467.167618	204.5
[M-H]-	443.171124	203.3
[M+NH4]+	462.212223	211.6
[M+K]+	483.141558	205.0
[M+H-H2O]+	427.175660	191.5
[M+HCOO]-	489.176601	200.0
[M+CH3COO]-	503.192251	204.6
[M+Na-2H]-	465.153066	198.0
[M]+	444.17785142	197.6
[M]-	444.17894858	197.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.185676

195.6

[M+Na]+

467.167618

204.5

[M-H]-

443.171124

203.3

[M+NH4]+

462.212223

211.6

[M+K]+

483.141558

205.0

[M+H-H2O]+

427.175660

191.5

[M+HCOO]-

489.176601

200.0

[M+CH3COO]-

503.192251

204.6

[M+Na-2H]-

465.153066

198.0

[M]+

444.17785142

197.6

[M]-

444.17894858

197.6

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

Compound np-006784

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe