CID 3067211

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

Structural Information

Molecular Formula
C27H30O2
SMILES
CCC(=C)C1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C27H30O2/c1-5-21(2)23-14-16-24(17-15-23)27(3,4)20-28-19-22-10-9-13-26(18-22)29-25-11-7-6-8-12-25/h6-18H,2,5,19-20H2,1,3-4H3
InChIKey
BNSHUDXWNUEZQJ-UHFFFAOYSA-N
Compound name
1-but-1-en-2-yl-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

386.22458 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.23186 198.9
[M+Na]+ 409.21380 203.1
[M-H]- 385.21730 207.4
[M+NH4]+ 404.25840 209.7
[M+K]+ 425.18774 197.3
[M+H-H2O]+ 369.22184 188.7
[M+HCOO]- 431.22278 217.9
[M+CH3COO]- 445.23843 223.3
[M+Na-2H]- 407.19925 200.3
[M]+ 386.22403 201.3
[M]- 386.22513 201.3
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