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 205.2
[M-H]- 402.22859 206.6
[M+NH4]+ 421.26969 211.1
[M+K]+ 442.19903 203.9
[M+H-H2O]+ 386.23313 190.7
[M+HCOO]- 448.23407 221.3
[M+CH3COO]- 462.24972 231.8
[M+Na-2H]- 424.21054 198.0
[M]+ 403.23532 209.5
[M]- 403.23642 209.5
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