CID 3067171

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

Structural Information

Molecular Formula
C25H26O3
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC=C
InChI
InChI=1S/C25H26O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h4-17H,1,18-19H2,2-3H3
InChIKey
QATSPQBSTGQYHU-UHFFFAOYSA-N
Compound name
1-ethenoxy-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

374.1882 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.195476 193.8
[M+Na]+ 397.177418 199.0
[M-H]- 373.180924 202.6
[M+NH4]+ 392.222023 205.0
[M+K]+ 413.151358 193.8
[M+H-H2O]+ 357.185460 183.6
[M+HCOO]- 419.186401 214.7
[M+CH3COO]- 433.202051 218.7
[M+Na-2H]- 395.162866 197.5
[M]+ 374.18765142 197.5
[M]- 374.18874858 197.5
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