CID 209339

19733-88-1

Structural Information

Molecular Formula
C21H27NO2
SMILES
CC(CCC1=CC=C(C=C1)COC2=CC=CC=C2)N3CCOCC3
InChI
InChI=1S/C21H27NO2/c1-18(22-13-15-23-16-14-22)7-8-19-9-11-20(12-10-19)17-24-21-5-3-2-4-6-21/h2-6,9-12,18H,7-8,13-17H2,1H3
InChIKey
PNYQWRHHDDMYKX-UHFFFAOYSA-N
Compound name
4-[4-[4-(phenoxymethyl)phenyl]butan-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 181.0
[M+Na]+ 348.19342 183.3
[M-H]- 324.19692 187.9
[M+NH4]+ 343.23802 191.1
[M+K]+ 364.16736 180.1
[M+H-H2O]+ 308.20146 170.2
[M+HCOO]- 370.20240 197.0
[M+CH3COO]- 384.21805 208.5
[M+Na-2H]- 346.17887 183.3
[M]+ 325.20365 178.9
[M]- 325.20475 178.9
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.