CID 88553

[isopropylidenebis(p-phenyleneoxy)]dipropanol

Structural Information

Molecular Formula
C21H28O4
SMILES
CC(C)(C1=CC=C(C=C1)OCCCO)C2=CC=C(C=C2)OCCCO
InChI
InChI=1S/C21H28O4/c1-21(2,17-5-9-19(10-6-17)24-15-3-13-22)18-7-11-20(12-8-18)25-16-4-14-23/h5-12,22-23H,3-4,13-16H2,1-2H3
InChIKey
CPHURRLSZSRQFS-UHFFFAOYSA-N
Compound name
3-[4-[2-[4-(3-hydroxypropoxy)phenyl]propan-2-yl]phenoxy]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4694
Patents

344.19876 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20604 185.3
[M+Na]+ 367.18798 189.8
[M-H]- 343.19148 188.5
[M+NH4]+ 362.23258 197.2
[M+K]+ 383.16192 185.6
[M+H-H2O]+ 327.19602 177.2
[M+HCOO]- 389.19696 203.5
[M+CH3COO]- 403.21261 208.8
[M+Na-2H]- 365.17343 188.2
[M]+ 344.19821 189.1
[M]- 344.19931 189.1
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.