CID 3067194

3-phenoxybenzyl 2-(4-(2-ethoxyethoxy)phenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C27H32O4
SMILES
CCOCCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C27H32O4/c1-4-28-17-18-30-24-15-13-23(14-16-24)27(2,3)21-29-20-22-9-8-12-26(19-22)31-25-10-6-5-7-11-25/h5-16,19H,4,17-18,20-21H2,1-3H3
InChIKey
PHRHMFCRZAZJHW-UHFFFAOYSA-N
Compound name
1-(2-ethoxyethoxy)-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

420.23007 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.23735 207.2
[M+Na]+ 443.21929 210.9
[M-H]- 419.22279 215.5
[M+NH4]+ 438.26389 216.4
[M+K]+ 459.19323 206.7
[M+H-H2O]+ 403.22733 196.1
[M+HCOO]- 465.22827 227.2
[M+CH3COO]- 479.24392 227.2
[M+Na-2H]- 441.20474 209.8
[M]+ 420.22952 213.5
[M]- 420.23062 213.5
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