CID 3009436

Methyl 6,6-bis(3,4-dimethoxyphenyl)hex-5-enoate

Structural Information

Molecular Formula
C23H28O6
SMILES
COC1=C(C=C(C=C1)C(=CCCCC(=O)OC)C2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C23H28O6/c1-25-19-12-10-16(14-21(19)27-3)18(8-6-7-9-23(24)29-5)17-11-13-20(26-2)22(15-17)28-4/h8,10-15H,6-7,9H2,1-5H3
InChIKey
DCDRRBGQBNPBMZ-UHFFFAOYSA-N
Compound name
methyl 6,6-bis(3,4-dimethoxyphenyl)hex-5-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.1886 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19588 196.4
[M+Na]+ 423.17782 202.1
[M-H]- 399.18132 202.7
[M+NH4]+ 418.22242 207.4
[M+K]+ 439.15176 200.1
[M+H-H2O]+ 383.18586 187.1
[M+HCOO]- 445.18680 217.2
[M+CH3COO]- 459.20245 224.7
[M+Na-2H]- 421.16327 194.7
[M]+ 400.18805 205.9
[M]- 400.18915 205.9
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

No patent data available for this compound.