CID 120411

Brn 1027155

Structural Information

Molecular Formula
C22H37NO5
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCOCCOCCOCCN2CCOCC2
InChI
InChI=1S/C22H37NO5/c1-19(2)21-5-4-20(3)18-22(21)28-17-16-27-15-14-26-13-12-25-11-8-23-6-9-24-10-7-23/h4-5,18-19H,6-17H2,1-3H3
InChIKey
IPCVMVMCDCHILU-UHFFFAOYSA-N
Compound name
4-[2-[2-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethoxy]ethoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.26718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.274456 200.4
[M+Na]+ 418.256398 201.5
[M-H]- 394.259904 203.9
[M+NH4]+ 413.301003 208.4
[M+K]+ 434.230338 200.7
[M+H-H2O]+ 378.264440 189.8
[M+HCOO]- 440.265381 215.4
[M+CH3COO]- 454.281031 222.8
[M+Na-2H]- 416.241846 199.6
[M]+ 395.26663142 206.4
[M]- 395.26772858 206.4
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.