CID 73555719

32171-27-0

Structural Information

Molecular Formula
C22H30O5
SMILES
CC(C1=CC=CC=C1)C2=CC=C(C=C2)OCCOCCOCCOCCO
InChI
InChI=1S/C22H30O5/c1-19(20-5-3-2-4-6-20)21-7-9-22(10-8-21)27-18-17-26-16-15-25-14-13-24-12-11-23/h2-10,19,23H,11-18H2,1H3
InChIKey
TWHFPOLEEDFRKC-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[4-(1-phenylethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.20932 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.216596 192.6
[M+Na]+ 397.198538 195.2
[M-H]- 373.202044 196.2
[M+NH4]+ 392.243143 203.2
[M+K]+ 413.172478 192.1
[M+H-H2O]+ 357.206580 182.9
[M+HCOO]- 419.207521 212.6
[M+CH3COO]- 433.223171 215.3
[M+Na-2H]- 395.183986 193.9
[M]+ 374.20877142 199.3
[M]- 374.20986858 199.3
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.