CID 11091713

Strobilurin e

Structural Information

Molecular Formula
C26H32O7
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

compound 2d structure
1
Annotation Hits

1
References

57
Patents

456.2148 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.22208 212.0
[M+Na]+ 479.20402 216.6
[M-H]- 455.20752 219.6
[M+NH4]+ 474.24862 222.2
[M+K]+ 495.17796 217.7
[M+H-H2O]+ 439.21206 207.2
[M+HCOO]- 501.21300 221.2
[M+CH3COO]- 515.22865 232.8
[M+Na-2H]- 477.18947 210.7
[M]+ 456.21425 218.0
[M]- 456.21535 218.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.