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

3
Patents

376.20386 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21114 194.9
[M+Na]+ 399.19308 199.8
[M-H]- 375.19658 203.7
[M+NH4]+ 394.23768 206.2
[M+K]+ 415.16702 195.3
[M+H-H2O]+ 359.20112 184.6
[M+HCOO]- 421.20206 215.6
[M+CH3COO]- 435.21771 219.4
[M+Na-2H]- 397.17853 198.6
[M]+ 376.20331 199.3
[M]- 376.20441 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