CID 85187741

Verimol c

Structural Information

Molecular Formula
C18H20O4
SMILES
CC1C(OC(O1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H20O4/c1-12-17(13-4-8-15(19-2)9-5-13)22-18(21-12)14-6-10-16(20-3)11-7-14/h4-12,17-18H,1-3H3
InChIKey
LYZZEJQTEOAYRE-UHFFFAOYSA-N
Compound name
2,4-bis(4-methoxyphenyl)-5-methyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 169.1
[M+Na]+ 323.12539 177.0
[M-H]- 299.12889 180.7
[M+NH4]+ 318.16999 183.6
[M+K]+ 339.09933 176.4
[M+H-H2O]+ 283.13343 161.8
[M+HCOO]- 345.13437 190.5
[M+CH3COO]- 359.15002 203.6
[M+Na-2H]- 321.11084 171.6
[M]+ 300.13562 173.5
[M]- 300.13672 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.