CID 6448095

3-phenoxybenzyl 2-(4-(2-buten-2-yl)phenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C27H30O2
SMILES
C/C=C(\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/h5-18H,19-20H2,1-4H3/b21-5+
InChIKey
HMHRZHWGQMZIHY-IGCPIRJNSA-N
Compound name
1-[(E)-but-2-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

0
Patents

386.22458 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.23186 199.1
[M+Na]+ 409.21380 203.4
[M-H]- 385.21730 207.7
[M+NH4]+ 404.25840 210.0
[M+K]+ 425.18774 197.7
[M+H-H2O]+ 369.22184 189.0
[M+HCOO]- 431.22278 218.2
[M+CH3COO]- 445.23843 222.7
[M+Na-2H]- 407.19925 200.6
[M]+ 386.22403 201.4
[M]- 386.22513 201.4
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