CID 71587797

Dimethoxyphenyl phenyloxoethyl ethylcarbonate

Structural Information

Molecular Formula
C19H20O6
SMILES
CCOC(=O)OC(C1=CC(=CC(=C1)OC)OC)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H20O6/c1-4-24-19(21)25-18(17(20)13-8-6-5-7-9-13)14-10-15(22-2)12-16(11-14)23-3/h5-12,18H,4H2,1-3H3
InChIKey
PLQLENYNNIFMNL-UHFFFAOYSA-N
Compound name
[1-(3,5-dimethoxyphenyl)-2-oxo-2-phenylethyl] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

344.12598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 178.9
[M+Na]+ 367.11520 184.3
[M-H]- 343.11870 185.4
[M+NH4]+ 362.15980 191.6
[M+K]+ 383.08914 183.6
[M+H-H2O]+ 327.12324 170.2
[M+HCOO]- 389.12418 200.2
[M+CH3COO]- 403.13983 211.3
[M+Na-2H]- 365.10065 179.5
[M]+ 344.12543 185.7
[M]- 344.12653 185.7
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