CID 11631236

Benmijunzhi

Structural Information

Molecular Formula
C20H22O4
SMILES
CC1=CC(=C(C=C1)C)OCC2=CC=CC=C2/C(=C\OC)/C(=O)OC
InChI
InChI=1S/C20H22O4/c1-14-9-10-15(2)19(11-14)24-12-16-7-5-6-8-17(16)18(13-22-3)20(21)23-4/h5-11,13H,12H2,1-4H3/b18-13+
InChIKey
DYFHTHIEAZGGDF-QGOAFFKASA-N
Compound name
methyl (E)-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-methoxyprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

326.1518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15908 177.7
[M+Na]+ 349.14102 191.1
[M+NH4]+ 344.18562 184.3
[M+K]+ 365.11496 184.1
[M-H]- 325.14452 180.9
[M+Na-2H]- 347.12647 184.5
[M]+ 326.15125 180.5
[M]- 326.15235 180.5
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

patents stripe