CID 3067116

3-phenoxybenzyl 2-(3,4-methylenedioxyphenyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C24H24O4
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C24H24O4/c1-24(2,19-11-12-22-23(14-19)27-17-26-22)16-25-15-18-7-6-10-21(13-18)28-20-8-4-3-5-9-20/h3-14H,15-17H2,1-2H3
InChIKey
HJSCVNCTDQJIRR-UHFFFAOYSA-N
Compound name
5-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

376.16745 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.17473 190.8
[M+Na]+ 399.15667 196.7
[M-H]- 375.16017 202.2
[M+NH4]+ 394.20127 202.2
[M+K]+ 415.13061 194.9
[M+H-H2O]+ 359.16471 182.3
[M+HCOO]- 421.16565 209.4
[M+CH3COO]- 435.18130 201.3
[M+Na-2H]- 397.14212 195.7
[M]+ 376.16690 195.6
[M]- 376.16800 195.6
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