CID 3046357

Brn 1142179

Structural Information

Molecular Formula
C21H27NO2
SMILES
C1CN(CCCOC1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27NO2/c1-3-9-19(10-4-1)21(20-11-5-2-6-12-20)24-18-15-22-13-7-16-23-17-8-14-22/h1-6,9-12,21H,7-8,13-18H2
InChIKey
PEJRVUQGOKSOPK-UHFFFAOYSA-N
Compound name
5-(2-benzhydryloxyethyl)-1,5-oxazocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2042 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21148 162.4
[M+Na]+ 348.19342 164.7
[M-H]- 324.19692 165.5
[M+NH4]+ 343.23802 167.0
[M+K]+ 364.16736 164.4
[M+H-H2O]+ 308.20146 156.8
[M+HCOO]- 370.20240 169.5
[M+CH3COO]- 384.21805 165.8
[M+Na-2H]- 346.17887 162.2
[M]+ 325.20365 160.7
[M]- 325.20475 160.7
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.