CID 3067166

Benzene, 1-((2-(4-(cyclopentyloxy)phenyl)-2-methylpropoxy)methyl)-3-phenoxy-

Structural Information

Molecular Formula
C28H32O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC4CCCC4
InChI
InChI=1S/C28H32O3/c1-28(2,23-15-17-26(18-16-23)30-24-12-6-7-13-24)21-29-20-22-9-8-14-27(19-22)31-25-10-4-3-5-11-25/h3-5,8-11,14-19,24H,6-7,12-13,20-21H2,1-2H3
InChIKey
JTCSHPOHPLGJGC-UHFFFAOYSA-N
Compound name
1-cyclopentyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

416.23514 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.24242 205.0
[M+Na]+ 439.22436 207.6
[M-H]- 415.22786 216.2
[M+NH4]+ 434.26896 215.7
[M+K]+ 455.19830 202.5
[M+H-H2O]+ 399.23240 194.5
[M+HCOO]- 461.23334 223.8
[M+CH3COO]- 475.24899 224.7
[M+Na-2H]- 437.20981 204.8
[M]+ 416.23459 205.6
[M]- 416.23569 205.6
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