CID 87970

2,2'-((1-methylethylidene)bis(4,1-phenyleneoxy))bisethyl diacetate

Structural Information

Molecular Formula
C23H28O6
SMILES
CC(=O)OCCOC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCCOC(=O)C
InChI
InChI=1S/C23H28O6/c1-17(24)26-13-15-28-21-9-5-19(6-10-21)23(3,4)20-7-11-22(12-8-20)29-16-14-27-18(2)25/h5-12H,13-16H2,1-4H3
InChIKey
HBDPNIKSHRQAJF-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-(2-acetyloxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

400.1886 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.195876 197.0
[M+Na]+ 423.177818 201.2
[M-H]- 399.181324 202.9
[M+NH4]+ 418.222423 207.5
[M+K]+ 439.151758 199.7
[M+H-H2O]+ 383.185860 188.0
[M+HCOO]- 445.186801 216.2
[M+CH3COO]- 459.202451 222.5
[M+Na-2H]- 421.163266 197.7
[M]+ 400.18805142 205.2
[M]- 400.18914858 205.2
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