CID 3067204

Benzene, 1-(4-ethoxyphenoxy)-3-((2-(4-ethoxyphenyl)-2-methylpropoxy)methyl)-

Structural Information

Molecular Formula
C27H32O4
SMILES
CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=C(C=C3)OCC
InChI
InChI=1S/C27H32O4/c1-5-29-23-12-10-22(11-13-23)27(3,4)20-28-19-21-8-7-9-26(18-21)31-25-16-14-24(15-17-25)30-6-2/h7-18H,5-6,19-20H2,1-4H3
InChIKey
VGFVMQNWGWZIEX-UHFFFAOYSA-N
Compound name
1-ethoxy-4-[3-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]phenoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

420.23007 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.23735 207.1
[M+Na]+ 443.21929 211.8
[M-H]- 419.22279 215.9
[M+NH4]+ 438.26389 216.7
[M+K]+ 459.19323 207.7
[M+H-H2O]+ 403.22733 196.2
[M+HCOO]- 465.22827 227.2
[M+CH3COO]- 479.24392 228.5
[M+Na-2H]- 441.20474 209.1
[M]+ 420.22952 213.9
[M]- 420.23062 213.9
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