CID 23631

1-benzyl-3-phenylazetidine

Structural Information

Molecular Formula
C16H17N
SMILES
C1C(CN1CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H17N/c1-3-7-14(8-4-1)11-17-12-16(13-17)15-9-5-2-6-10-15/h1-10,16H,11-13H2
InChIKey
DCZMBHDGZSZFKA-UHFFFAOYSA-N
Compound name
1-benzyl-3-phenylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 146.9
[M+Na]+ 246.12532 158.2
[M+NH4]+ 241.16992 153.1
[M+K]+ 262.09926 151.1
[M-H]- 222.12882 150.8
[M+Na-2H]- 244.11077 156.2
[M]+ 223.13555 148.7
[M]- 223.13665 148.7
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

patents stripe