CID 3018311

2-propenoic acid, 2-(4-(1-(4-(2-hydroxyethoxy)phenyl)-1-methylethyl)phenoxy)ethyl ester

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
2
Annotation Hits

0
References

5
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 190.2
[M+Na]+ 393.16722 194.8
[M-H]- 369.17072 194.7
[M+NH4]+ 388.21182 201.3
[M+K]+ 409.14116 191.3
[M+H-H2O]+ 353.17526 181.6
[M+HCOO]- 415.17620 209.0
[M+CH3COO]- 429.19185 214.9
[M+Na-2H]- 391.15267 191.9
[M]+ 370.17745 195.5
[M]- 370.17855 195.5
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