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

28
Patents

400.1886 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19588 197.0
[M+Na]+ 423.17782 201.2
[M-H]- 399.18132 202.9
[M+NH4]+ 418.22242 207.5
[M+K]+ 439.15176 199.7
[M+H-H2O]+ 383.18586 188.0
[M+HCOO]- 445.18680 216.2
[M+CH3COO]- 459.20245 222.5
[M+Na-2H]- 421.16327 197.7
[M]+ 400.18805 205.2
[M]- 400.18915 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