CID 57363834

230975-30-1

Structural Information

Molecular Formula
C21H28O5
SMILES
COCCC1=CC=C(C=C1)OCC(COC2=CC=C(C=C2)CCOC)O
InChI
InChI=1S/C21H28O5/c1-23-13-11-17-3-7-20(8-4-17)25-15-19(22)16-26-21-9-5-18(6-10-21)12-14-24-2/h3-10,19,22H,11-16H2,1-2H3
InChIKey
JHRIEMFHIZBBOY-UHFFFAOYSA-N
Compound name
1,3-bis[4-(2-methoxyethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

360.19366 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20094 188.3
[M+Na]+ 383.18288 200.2
[M+NH4]+ 378.22748 194.3
[M+K]+ 399.15682 192.9
[M-H]- 359.18638 191.0
[M+Na-2H]- 381.16833 194.4
[M]+ 360.19311 190.7
[M]- 360.19421 190.7
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

patents stripe