CID 3069337

Cor 28 14

Structural Information

Molecular Formula
C21H27NO4
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCNCC2COC3=CC=CC=C3O2
InChI
InChI=1S/C21H27NO4/c1-14(2)17-11-18(23)15(3)10-21(17)24-9-8-22-12-16-13-25-19-6-4-5-7-20(19)26-16/h4-7,10-11,14,16,22-23H,8-9,12-13H2,1-3H3
InChIKey
PEJADIIUCHEIBG-UHFFFAOYSA-N
Compound name
4-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

357.194 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.20128 188.3
[M+Na]+ 380.18322 201.1
[M+NH4]+ 375.22782 195.4
[M+K]+ 396.15716 194.4
[M-H]- 356.18672 195.4
[M+Na-2H]- 378.16867 192.7
[M]+ 357.19345 192.2
[M]- 357.19455 192.2
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