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

4706
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

literature stripe

Patent stripe

patents stripe