CID 2817578

1-benzhydryl-3-phenoxyazetidine

Structural Information

Molecular Formula
C22H21NO
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C22H21NO/c1-4-10-18(11-5-1)22(19-12-6-2-7-13-19)23-16-21(17-23)24-20-14-8-3-9-15-20/h1-15,21-22H,16-17H2
InChIKey
GLAMCKIBNCIMFW-UHFFFAOYSA-N
Compound name
1-benzhydryl-3-phenoxyazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

104
Patents

315.16232 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.169596 170.8
[M+Na]+ 338.151538 174.6
[M-H]- 314.155044 180.4
[M+NH4]+ 333.196143 176.4
[M+K]+ 354.125478 172.4
[M+H-H2O]+ 298.159580 154.7
[M+HCOO]- 360.160521 189.7
[M+CH3COO]- 374.176171 180.4
[M+Na-2H]- 336.136986 174.9
[M]+ 315.16177142 176.9
[M]- 315.16286858 176.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe