CID 3025445

1,3-propanediol, 2,2-bis((4-allyl-2-methoxyphenoxy)methyl)-

Structural Information

Molecular Formula
C25H32O6
SMILES
COC1=C(C=CC(=C1)CC=C)OCC(CO)(CO)COC2=C(C=C(C=C2)CC=C)OC
InChI
InChI=1S/C25H32O6/c1-5-7-19-9-11-21(23(13-19)28-3)30-17-25(15-26,16-27)18-31-22-12-10-20(8-6-2)14-24(22)29-4/h5-6,9-14,26-27H,1-2,7-8,15-18H2,3-4H3
InChIKey
WELHBPKGGQVKDB-UHFFFAOYSA-N
Compound name
2,2-bis[(2-methoxy-4-prop-2-enylphenoxy)methyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.21988 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.22716 206.5
[M+Na]+ 451.20910 217.4
[M+NH4]+ 446.25370 210.3
[M+K]+ 467.18304 210.8
[M-H]- 427.21260 207.3
[M+Na-2H]- 449.19455 210.3
[M]+ 428.21933 208.1
[M]- 428.22043 208.1
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.