CID 91818

56361-55-8

Structural Information

Molecular Formula
C29H36O8
SMILES
CC(C)(C1=CC=C(C=C1)OCCOCCOC(=O)C=C)C2=CC=C(C=C2)OCCOCCOC(=O)C=C
InChI
InChI=1S/C29H36O8/c1-5-27(30)36-21-17-32-15-19-34-25-11-7-23(8-12-25)29(3,4)24-9-13-26(14-10-24)35-20-16-33-18-22-37-28(31)6-2/h5-14H,1-2,15-22H2,3-4H3
InChIKey
DTCQGQSGPULSES-UHFFFAOYSA-N
Compound name
2-[2-[4-[2-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]propan-2-yl]phenoxy]ethoxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

189
Patents

512.241 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.24828 223.9
[M+Na]+ 535.23022 232.6
[M+NH4]+ 530.27482 225.7
[M+K]+ 551.20416 227.0
[M-H]- 511.23372 223.4
[M+Na-2H]- 533.21567 226.8
[M]+ 512.24045 224.6
[M]- 512.24155 224.6
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