CID 3067216

80874-15-3

Structural Information

Molecular Formula
C27H32O3
SMILES
CCC(C)OC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C27H32O3/c1-5-21(2)29-25-16-14-23(15-17-25)27(3,4)20-28-19-22-10-9-13-26(18-22)30-24-11-7-6-8-12-24/h6-18,21H,5,19-20H2,1-4H3
InChIKey
ZUMUGQUYHYIFGL-UHFFFAOYSA-N
Compound name
1-butan-2-yloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

404.23514 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.24242 203.6
[M+Na]+ 427.22436 207.2
[M-H]- 403.22786 212.0
[M+NH4]+ 422.26896 213.6
[M+K]+ 443.19830 202.8
[M+H-H2O]+ 387.23240 193.0
[M+HCOO]- 449.23334 222.5
[M+CH3COO]- 463.24899 226.1
[M+Na-2H]- 425.20981 205.1
[M]+ 404.23459 208.0
[M]- 404.23569 208.0
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