CID 209338

19733-87-0

Structural Information

Molecular Formula
C21H27NO2
SMILES
C1COCCN1CCCCC2=CC=C(C=C2)COC3=CC=CC=C3
InChI
InChI=1S/C21H27NO2/c1-2-7-21(8-3-1)24-18-20-11-9-19(10-12-20)6-4-5-13-22-14-16-23-17-15-22/h1-3,7-12H,4-6,13-18H2
InChIKey
PCSCOVYTYNORPK-UHFFFAOYSA-N
Compound name
4-[4-[4-(phenoxymethyl)phenyl]butyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 180.6
[M+Na]+ 348.19342 183.2
[M-H]- 324.19692 187.4
[M+NH4]+ 343.23802 190.8
[M+K]+ 364.16736 179.5
[M+H-H2O]+ 308.20146 169.6
[M+HCOO]- 370.20240 197.6
[M+CH3COO]- 384.21805 207.7
[M+Na-2H]- 346.17887 184.1
[M]+ 325.20365 179.1
[M]- 325.20475 179.1
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

No patent data available for this compound.