CID 11631236

852369-40-5

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

31
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 177.4
[M+Na]+ 349.14102 184.0
[M-H]- 325.14452 184.1
[M+NH4]+ 344.18562 191.6
[M+K]+ 365.11496 181.1
[M+H-H2O]+ 309.14906 169.1
[M+HCOO]- 371.15000 199.0
[M+CH3COO]- 385.16565 210.4
[M+Na-2H]- 347.12647 177.8
[M]+ 326.15125 182.7
[M]- 326.15235 182.7
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