CID 3059725

77092-19-4

Structural Information

Molecular Formula
C19H18O5
SMILES
CC1(OC(=CC(=O)O1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H18O5/c1-19(14-6-10-16(22-3)11-7-14)23-17(12-18(20)24-19)13-4-8-15(21-2)9-5-13/h4-12H,1-3H3
InChIKey
QKNONWGRWUKPIP-UHFFFAOYSA-N
Compound name
2,6-bis(4-methoxyphenyl)-2-methyl-1,3-dioxin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.11542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 174.8
[M+Na]+ 349.10464 183.4
[M-H]- 325.10814 186.5
[M+NH4]+ 344.14924 188.0
[M+K]+ 365.07858 183.3
[M+H-H2O]+ 309.11268 165.9
[M+HCOO]- 371.11362 195.3
[M+CH3COO]- 385.12927 207.9
[M+Na-2H]- 347.09009 180.5
[M]+ 326.11487 179.7
[M]- 326.11597 179.7
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

No patent data available for this compound.