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]+ 371.185276 190.2
[M+Na]+ 393.167218 194.8
[M-H]- 369.170724 194.7
[M+NH4]+ 388.211823 201.3
[M+K]+ 409.141158 191.3
[M+H-H2O]+ 353.175260 181.6
[M+HCOO]- 415.176201 209.0
[M+CH3COO]- 429.191851 214.9
[M+Na-2H]- 391.152666 191.9
[M]+ 370.17745142 195.5
[M]- 370.17854858 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