CID 3067185

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

Structural Information

Molecular Formula
C25H28O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)COC
InChI
InChI=1S/C25H28O3/c1-25(2,22-14-12-20(13-15-22)17-26-3)19-27-18-21-8-7-11-24(16-21)28-23-9-5-4-6-10-23/h4-16H,17-19H2,1-3H3
InChIKey
CEPDAODIXNEKHN-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-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

376.20386 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.211136 194.9
[M+Na]+ 399.193078 199.8
[M-H]- 375.196584 203.7
[M+NH4]+ 394.237683 206.2
[M+K]+ 415.167018 195.3
[M+H-H2O]+ 359.201120 184.6
[M+HCOO]- 421.202061 215.6
[M+CH3COO]- 435.217711 219.4
[M+Na-2H]- 397.178526 198.6
[M]+ 376.20331142 199.3
[M]- 376.20440858 199.3
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