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

452
Patents

512.241 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.248276 225.9
[M+Na]+ 535.230218 227.4
[M-H]- 511.233724 230.4
[M+NH4]+ 530.274823 231.2
[M+K]+ 551.204158 225.1
[M+H-H2O]+ 495.238260 215.3
[M+HCOO]- 557.239201 243.7
[M+CH3COO]- 571.254851 242.5
[M+Na-2H]- 533.215666 224.2
[M]+ 512.24045142 237.5
[M]- 512.24154858 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