CID 77333

3739-67-1

Structural Information

Molecular Formula
C21H24O2
SMILES
CC(C)(C1=CC=C(C=C1)OCC=C)C2=CC=C(C=C2)OCC=C
InChI
InChI=1S/C21H24O2/c1-5-15-22-19-11-7-17(8-12-19)21(3,4)18-9-13-20(14-10-18)23-16-6-2/h5-14H,1-2,15-16H2,3-4H3
InChIKey
SCZZNWQQCGSWSZ-UHFFFAOYSA-N
Compound name
1-prop-2-enoxy-4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2260
Patents

308.17764 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18492 175.8
[M+Na]+ 331.16686 182.2
[M-H]- 307.17036 181.9
[M+NH4]+ 326.21146 190.6
[M+K]+ 347.14080 177.1
[M+H-H2O]+ 291.17490 167.8
[M+HCOO]- 353.17584 197.0
[M+CH3COO]- 367.19149 208.1
[M+Na-2H]- 329.15231 179.4
[M]+ 308.17709 179.1
[M]- 308.17819 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe