CID 3018311

72004-73-0

Structural Information

Molecular Formula
C22H26O5
SMILES
CC(C)(C1=CC=C(C=C1)OCCO)C2=CC=C(C=C2)OCCOC(=O)C=C
InChI
InChI=1S/C22H26O5/c1-4-21(24)27-16-15-26-20-11-7-18(8-12-20)22(2,3)17-5-9-19(10-6-17)25-14-13-23/h4-12,23H,1,13-16H2,2-3H3
InChIKey
JMVPGRARYOWXAT-UHFFFAOYSA-N
Compound name
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

370.178 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 190.0
[M+Na]+ 393.16722 201.5
[M+NH4]+ 388.21182 195.2
[M+K]+ 409.14116 195.2
[M-H]- 369.17072 191.6
[M+Na-2H]- 391.15267 195.8
[M]+ 370.17745 192.0
[M]- 370.17855 192.0
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