CID 3067162

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

Structural Information

Molecular Formula
C26H30O3
SMILES
CCCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C26H30O3/c1-4-17-28-23-15-13-22(14-16-23)26(2,3)20-27-19-21-9-8-12-25(18-21)29-24-10-6-5-7-11-24/h5-16,18H,4,17,19-20H2,1-3H3
InChIKey
HKOBKODJCMUGQJ-UHFFFAOYSA-N
Compound name
1-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-4-propoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

390.21948 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22676 199.5
[M+Na]+ 413.20870 203.9
[M-H]- 389.21220 208.0
[M+NH4]+ 408.25330 210.1
[M+K]+ 429.18264 199.1
[M+H-H2O]+ 373.21674 188.9
[M+HCOO]- 435.21768 219.8
[M+CH3COO]- 449.23333 222.3
[M+Na-2H]- 411.19415 202.6
[M]+ 390.21893 204.1
[M]- 390.22003 204.1
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