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

74
Patents

344.12598 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.133256 178.9
[M+Na]+ 367.115198 184.3
[M-H]- 343.118704 185.4
[M+NH4]+ 362.159803 191.6
[M+K]+ 383.089138 183.6
[M+H-H2O]+ 327.123240 170.2
[M+HCOO]- 389.124181 200.2
[M+CH3COO]- 403.139831 211.3
[M+Na-2H]- 365.100646 179.5
[M]+ 344.12543142 185.7
[M]- 344.12652858 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