CID 45380432

Coumoxystrobin

Structural Information

Molecular Formula
C26H28O6
SMILES
CCCCC1=C(C2=C(C=C(C=C2)OCC3=CC=CC=C3/C(=C\OC)/C(=O)OC)OC1=O)C
InChI
InChI=1S/C26H28O6/c1-5-6-10-21-17(2)20-13-12-19(14-24(20)32-26(21)28)31-15-18-9-7-8-11-22(18)23(16-29-3)25(27)30-4/h7-9,11-14,16H,5-6,10,15H2,1-4H3/b23-16+
InChIKey
CWVRPJSBNHNJSI-XQNSMLJCSA-N
Compound name
methyl (E)-2-[2-[(3-butyl-4-methyl-2-oxochromen-7-yl)oxymethyl]phenyl]-3-methoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6176
Patents

436.1886 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19588 206.9
[M+Na]+ 459.17782 213.7
[M-H]- 435.18132 214.9
[M+NH4]+ 454.22242 216.1
[M+K]+ 475.15176 211.2
[M+H-H2O]+ 419.18586 197.0
[M+HCOO]- 481.18680 225.4
[M+CH3COO]- 495.20245 232.3
[M+Na-2H]- 457.16327 206.7
[M]+ 436.18805 216.3
[M]- 436.18915 216.3
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.