CID 3067207

3-phenoxybenzyl 2-(4-tert-butylphenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C27H32O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C27H32O2/c1-26(2,3)22-14-16-23(17-15-22)27(4,5)20-28-19-21-10-9-13-25(18-21)29-24-11-7-6-8-12-24/h6-18H,19-20H2,1-5H3
InChIKey
DAFOZPBDKWNPQK-UHFFFAOYSA-N
Compound name
1-tert-butyl-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

388.24023 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.24751 199.9
[M+Na]+ 411.22945 204.6
[M-H]- 387.23295 208.7
[M+NH4]+ 406.27405 211.0
[M+K]+ 427.20339 199.6
[M+H-H2O]+ 371.23749 190.1
[M+HCOO]- 433.23843 218.1
[M+CH3COO]- 447.25408 223.2
[M+Na-2H]- 409.21490 203.4
[M]+ 388.23968 203.0
[M]- 388.24078 203.0
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