CID 3069335

Cor 28 11

Structural Information

Molecular Formula
C24H35NO5
SMILES
CC1=CC(=C(C=C1OC)C(C)C)OCCN(C)CCOC2=C(C=CC=C2OC)OC
InChI
InChI=1S/C24H35NO5/c1-17(2)19-16-22(28-7)18(3)15-23(19)29-13-11-25(4)12-14-30-24-20(26-5)9-8-10-21(24)27-6/h8-10,15-17H,11-14H2,1-7H3
InChIKey
KFEIBQSCFXKVAJ-UHFFFAOYSA-N
Compound name
N-[2-(2,6-dimethoxyphenoxy)ethyl]-2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

417.25153 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.25881 204.6
[M+Na]+ 440.24075 209.6
[M-H]- 416.24425 212.2
[M+NH4]+ 435.28535 215.6
[M+K]+ 456.21469 208.9
[M+H-H2O]+ 400.24879 194.6
[M+HCOO]- 462.24973 226.9
[M+CH3COO]- 476.26538 237.0
[M+Na-2H]- 438.22620 202.3
[M]+ 417.25098 216.1
[M]- 417.25208 216.1
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