PubChemLite - Strobilurin e (C26H32O7)

Structural Information

Molecular Formula

SMILES

CC(=C[C@H]1O[C@@]2(COC3=C(O2)C=C(C=C3)/C=C/C=C(/C)\C(=C/OC)\C(=O)OC)C(O1)(C)C)C

InChI

InChI=1S/C26H32O7/c1-17(2)13-23-32-25(4,5)26(33-23)16-30-21-12-11-19(14-22(21)31-26)10-8-9-18(3)20(15-28-6)24(27)29-7/h8-15,23H,16H2,1-7H3/b10-8+,18-9-,20-15+/t23-,26+/m1/s1

InChIKey

UKZBFRLDRGPOEJ-JZMZRJBLSA-N

Compound name

methyl (2E,3Z,5E)-6-[(2R,4S)-5,5-dimethyl-2-(2-methylprop-1-enyl)spiro[1,3-dioxolane-4,3'-2H-1,4-benzodioxine]-6'-yl]-2-(methoxymethylidene)-3-methylhexa-3,5-dienoate

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]+	457.22208	207.7
[M+Na]+	479.20402	215.4
[M+NH4]+	474.24862	213.5
[M+K]+	495.17796	210.7
[M-H]-	455.20752	211.8
[M+Na-2H]-	477.18947	207.4
[M]+	456.21425	209.9
[M]-	456.21535	209.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.22208

207.7

[M+Na]+

479.20402

215.4

[M+NH4]+

474.24862

213.5

[M+K]+

495.17796

210.7

[M-H]-

455.20752

211.8

[M+Na-2H]-

477.18947

207.4

[M]+

456.21425

209.9

[M]-

456.21535

209.9

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

Strobilurin e

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe