CID 3027267

Benzene, 4-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-1-ethoxy-2-methyl-

Structural Information

Molecular Formula
C26H30O3
SMILES
CCOC1=C(C=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3)C
InChI
InChI=1S/C26H30O3/c1-5-28-25-15-14-22(16-20(25)2)26(3,4)19-27-18-21-10-9-13-24(17-21)29-23-11-7-6-8-12-23/h6-17H,5,18-19H2,1-4H3
InChIKey
WMIYCPXSVSJHEQ-UHFFFAOYSA-N
Compound name
1-ethoxy-2-methyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

390.21948 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22676 199.3
[M+Na]+ 413.20870 204.7
[M-H]- 389.21220 208.3
[M+NH4]+ 408.25330 210.3
[M+K]+ 429.18264 200.0
[M+H-H2O]+ 373.21674 189.0
[M+HCOO]- 435.21768 219.6
[M+CH3COO]- 449.23333 223.5
[M+Na-2H]- 411.19415 201.8
[M]+ 390.21893 204.4
[M]- 390.22003 204.4
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