CID 50319

1-benzhydryl-n-methylazetidin-3-amine

Structural Information

Molecular Formula
C17H20N2
SMILES
CNC1CN(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2/c1-18-16-12-19(13-16)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-18H,12-13H2,1H3
InChIKey
FQFKVNTZBGKHLL-UHFFFAOYSA-N
Compound name
1-benzhydryl-N-methylazetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

71
Patents

252.16264 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 158.7
[M+Na]+ 275.15186 168.2
[M+NH4]+ 270.19646 164.0
[M+K]+ 291.12580 161.8
[M-H]- 251.15536 162.6
[M+Na-2H]- 273.13731 166.8
[M]+ 252.16209 160.1
[M]- 252.16319 160.1
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