CID 3067174

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

Structural Information

Molecular Formula
C29H34O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC4CCCCC4
InChI
InChI=1S/C29H34O3/c1-29(2,24-16-18-27(19-17-24)31-25-11-5-3-6-12-25)22-30-21-23-10-9-15-28(20-23)32-26-13-7-4-8-14-26/h4,7-10,13-20,25H,3,5-6,11-12,21-22H2,1-2H3
InChIKey
NMKZGOKRSGWXOS-UHFFFAOYSA-N
Compound name
1-cyclohexyloxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

430.2508 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.25808 209.2
[M+Na]+ 453.24002 210.3
[M-H]- 429.24352 219.3
[M+NH4]+ 448.28462 217.1
[M+K]+ 469.21396 205.1
[M+H-H2O]+ 413.24806 197.1
[M+HCOO]- 475.24900 225.2
[M+CH3COO]- 489.26465 228.2
[M+Na-2H]- 451.22547 210.1
[M]+ 430.25025 207.6
[M]- 430.25135 207.6
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