Compound np-006788 (C24H26O8)

Structural Information

Molecular Formula

SMILES

CC1C(=O)C2C3C(O1)OC(=O)C3(CC4C2(C(=O)C=C5C(=CC(=O)OC5(C)C)C46CO6)C)C

InChI

InChI=1S/C24H26O8/c1-10-18(27)16-17-19(30-10)31-20(28)22(17,4)8-13-23(16,5)14(25)6-11-12(24(13)9-29-24)7-15(26)32-21(11,2)3/h6-7,10,13,16-17,19H,8-9H2,1-5H3

InChIKey

PCBBMDQLBUYDDZ-UHFFFAOYSA-N

Compound name

2,6,6,14,19-pentamethylspiro[7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-11,2'-oxirane]-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]+	443.170056	189.3
[M+Na]+	465.151998	200.3
[M-H]-	441.155504	200.6
[M+NH4]+	460.196603	201.8
[M+K]+	481.125938	202.7
[M+H-H2O]+	425.160040	185.2
[M+HCOO]-	487.160981	191.4
[M+CH3COO]-	501.176631	198.8
[M+Na-2H]-	463.137446	194.0
[M]+	442.16223142	195.7
[M]-	442.16332858	195.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.170056

189.3

[M+Na]+

465.151998

200.3

[M-H]-

441.155504

200.6

[M+NH4]+

460.196603

201.8

[M+K]+

481.125938

202.7

[M+H-H2O]+

425.160040

185.2

[M+HCOO]-

487.160981

191.4

[M+CH3COO]-

501.176631

198.8

[M+Na-2H]-

463.137446

194.0

[M]+

442.16223142

195.7

[M]-

442.16332858

195.7

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

Compound np-006788

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe