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

43
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 184.9
[M+Na]+ 365.17232 193.7
[M+NH4]+ 360.21692 188.9
[M+K]+ 381.14626 188.1
[M-H]- 341.17582 183.7
[M+Na-2H]- 363.15777 186.5
[M]+ 342.18255 185.3
[M]- 342.18365 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe