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]+ 429.227156 205.7
[M+Na]+ 451.209098 210.2
[M-H]- 427.212604 208.8
[M+NH4]+ 446.253703 214.2
[M+K]+ 467.183038 205.7
[M+H-H2O]+ 411.217140 196.7
[M+HCOO]- 473.218081 223.0
[M+CH3COO]- 487.233731 225.9
[M+Na-2H]- 449.194546 205.5
[M]+ 428.21933142 213.1
[M]- 428.22042858 213.1
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.