CID 121230801

1797132-23-0

Structural Information

Molecular Formula
C20H26O7
SMILES
COC1=CC=CC=C1OCC(COCC(COC2=CC=CC=C2OC)O)O
InChI
InChI=1S/C20H26O7/c1-23-17-7-3-5-9-19(17)26-13-15(21)11-25-12-16(22)14-27-20-10-6-4-8-18(20)24-2/h3-10,15-16,21-22H,11-14H2,1-2H3
InChIKey
AFKSAYSHFVIMCI-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-(2-methoxyphenoxy)propoxy]-3-(2-methoxyphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.16785 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.175126 188.4
[M+Na]+ 401.157068 191.6
[M-H]- 377.160574 191.5
[M+NH4]+ 396.201673 198.1
[M+K]+ 417.131008 190.5
[M+H-H2O]+ 361.165110 179.2
[M+HCOO]- 423.166051 207.0
[M+CH3COO]- 437.181701 213.5
[M+Na-2H]- 399.142516 188.8
[M]+ 378.16730142 195.3
[M]- 378.16839858 195.3
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.