PubChemLite - Nsc611284 (C26H30O7)

Structural Information

Molecular Formula

SMILES

CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C

InChI

InChI=1S/C26H30O7/c1-22(2)16-12-17(27)25(5)15(23(16,3)9-7-18(28)32-22)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)33-20/h7-9,11,13,15-16,19-20H,6,10,12H2,1-5H3

InChIKey

MAYJEFRPIKEYBL-UHFFFAOYSA-N

Compound name

7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione

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]+	455.20644	199.4
[M+Na]+	477.18838	210.1
[M+NH4]+	472.23298	212.1
[M+K]+	493.16232	201.7
[M-H]-	453.19188	213.2
[M+Na-2H]-	475.17383	205.8
[M]+	454.19861	206.9
[M]-	454.19971	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

455.20644

199.4

[M+Na]+

477.18838

210.1

[M+NH4]+

472.23298

212.1

[M+K]+

493.16232

201.7

[M-H]-

453.19188

213.2

[M+Na-2H]-

475.17383

205.8

[M]+

454.19861

206.9

[M]-

454.19971

206.9

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

Nsc611284

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe