CID 3069333

Cor 28 22

Structural Information

Molecular Formula
C23H33NO5
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCN(C)CCOC2=C(C=CC=C2OC)OC
InChI
InChI=1S/C23H33NO5/c1-16(2)18-15-19(25)17(3)14-22(18)28-12-10-24(4)11-13-29-23-20(26-5)8-7-9-21(23)27-6/h7-9,14-16,25H,10-13H2,1-6H3
InChIKey
POSYIMZXINPGDH-UHFFFAOYSA-N
Compound name
4-[2-[2-(2,6-dimethoxyphenoxy)ethyl-methylamino]ethoxy]-2-methyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

403.23587 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.24315 200.2
[M+Na]+ 426.22509 211.7
[M+NH4]+ 421.26969 205.6
[M+K]+ 442.19903 205.5
[M-H]- 402.22859 203.6
[M+Na-2H]- 424.21054 205.1
[M]+ 403.23532 202.7
[M]- 403.23642 202.7
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