CID 120406

Brn 1013436

Structural Information

Molecular Formula
C20H33NO4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCOCCOCCN2CCOCC2
InChI
InChI=1S/C20H33NO4/c1-17(2)19-5-4-18(3)16-20(19)25-15-14-24-13-12-23-11-8-21-6-9-22-10-7-21/h4-5,16-17H,6-15H2,1-3H3
InChIKey
IVCSGSYYCHTNQI-UHFFFAOYSA-N
Compound name
4-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.24097 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.24825 189.0
[M+Na]+ 374.23019 191.2
[M-H]- 350.23369 192.9
[M+NH4]+ 369.27479 198.9
[M+K]+ 390.20413 190.1
[M+H-H2O]+ 334.23823 179.1
[M+HCOO]- 396.23917 204.5
[M+CH3COO]- 410.25482 214.8
[M+Na-2H]- 372.21564 189.1
[M]+ 351.24042 192.9
[M]- 351.24152 192.9
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

No patent data available for this compound.