CID 3067173

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

Structural Information

Molecular Formula
C27H32O3
SMILES
CCCCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C27H32O3/c1-4-5-18-29-24-16-14-23(15-17-24)27(2,3)21-28-20-22-10-9-13-26(19-22)30-25-11-7-6-8-12-25/h6-17,19H,4-5,18,20-21H2,1-3H3
InChIKey
BZNNARQNZHZDFI-UHFFFAOYSA-N
Compound name
1-butoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

404.23514 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.24242 204.0
[M+Na]+ 427.22436 208.0
[M-H]- 403.22786 212.3
[M+NH4]+ 422.26896 214.0
[M+K]+ 443.19830 203.0
[M+H-H2O]+ 387.23240 193.2
[M+HCOO]- 449.23334 223.9
[M+CH3COO]- 463.24899 225.2
[M+Na-2H]- 425.20981 206.5
[M]+ 404.23459 209.0
[M]- 404.23569 209.0
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