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
3
Annotation Hits

0
References

201
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 225.9
[M+Na]+ 535.23022 227.4
[M-H]- 511.23372 230.4
[M+NH4]+ 530.27482 231.2
[M+K]+ 551.20416 225.1
[M+H-H2O]+ 495.23826 215.3
[M+HCOO]- 557.23920 243.7
[M+CH3COO]- 571.25485 242.5
[M+Na-2H]- 533.21567 224.2
[M]+ 512.24045 237.5
[M]- 512.24155 237.5
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