CID 6441226

Strobilurin h

Structural Information

Molecular Formula
C17H20O4
SMILES
C/C(=C/C=C/C1=CC(=CC=C1)OC)/C(=C\OC)/C(=O)OC
InChI
InChI=1S/C17H20O4/c1-13(16(12-19-2)17(18)21-4)7-5-8-14-9-6-10-15(11-14)20-3/h5-12H,1-4H3/b8-5+,13-7-,16-12+
InChIKey
MTTZSOSUZLNSSO-PLJMREBYSA-N
Compound name
methyl (2E,3Z,5E)-2-(methoxymethylidene)-6-(3-methoxyphenyl)-3-methylhexa-3,5-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

288.13617 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.14345 168.2
[M+Na]+ 311.12539 173.7
[M-H]- 287.12889 171.2
[M+NH4]+ 306.16999 183.8
[M+K]+ 327.09933 171.1
[M+H-H2O]+ 271.13343 161.4
[M+HCOO]- 333.13437 189.0
[M+CH3COO]- 347.15002 201.1
[M+Na-2H]- 309.11084 168.0
[M]+ 288.13562 172.3
[M]- 288.13672 172.3
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