CID 76968370

Strobilurin c

Structural Information

Molecular Formula
C21H26O4
SMILES
CC(=CCOC1=CC=CC(=C1)/C=C/C=C(/C)\C(=C/OC)\C(=O)OC)C
InChI
InChI=1S/C21H26O4/c1-16(2)12-13-25-19-11-7-10-18(14-19)9-6-8-17(3)20(15-23-4)21(22)24-5/h6-12,14-15H,13H2,1-5H3/b9-6+,17-8-,20-15+
InChIKey
RIGZIGSLGOTINN-MSOZMUFPSA-N
Compound name
methyl (2E,3Z,5E)-2-(methoxymethylidene)-3-methyl-6-[3-(3-methylbut-2-enoxy)phenyl]hexa-3,5-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

342.1831 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19038 185.0
[M+Na]+ 365.17232 188.9
[M-H]- 341.17582 187.3
[M+NH4]+ 360.21692 198.3
[M+K]+ 381.14626 185.3
[M+H-H2O]+ 325.18036 177.7
[M+HCOO]- 387.18130 203.6
[M+CH3COO]- 401.19695 212.4
[M+Na-2H]- 363.15777 181.5
[M]+ 342.18255 189.1
[M]- 342.18365 189.1
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.