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]+ 396.27446 200.4
[M+Na]+ 418.25640 201.5
[M-H]- 394.25990 203.9
[M+NH4]+ 413.30100 208.4
[M+K]+ 434.23034 200.7
[M+H-H2O]+ 378.26444 189.8
[M+HCOO]- 440.26538 215.4
[M+CH3COO]- 454.28103 222.8
[M+Na-2H]- 416.24185 199.6
[M]+ 395.26663 206.4
[M]- 395.26773 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.