CID 38473

Az 57

Structural Information

Molecular Formula
C22H27NO
SMILES
C1CCC(CC1)N2CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H27NO/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19)24-21-16-23(17-21)20-14-8-3-9-15-20/h1-2,4-7,10-13,20-22H,3,8-9,14-17H2
InChIKey
DWTPCBOIKOWHAA-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-1-cyclohexylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.20926 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 172.8
[M+Na]+ 344.19848 173.5
[M-H]- 320.20198 181.2
[M+NH4]+ 339.24308 177.8
[M+K]+ 360.17242 171.9
[M+H-H2O]+ 304.20652 156.6
[M+HCOO]- 366.20746 187.6
[M+CH3COO]- 380.22311 180.8
[M+Na-2H]- 342.18393 173.9
[M]+ 321.20871 174.8
[M]- 321.20981 174.8
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.