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]+ 327.122696 174.8
[M+Na]+ 349.104638 183.4
[M-H]- 325.108144 186.5
[M+NH4]+ 344.149243 188.0
[M+K]+ 365.078578 183.3
[M+H-H2O]+ 309.112680 165.9
[M+HCOO]- 371.113621 195.3
[M+CH3COO]- 385.129271 207.9
[M+Na-2H]- 347.090086 180.5
[M]+ 326.11487142 179.7
[M]- 326.11596858 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.