CID 2779290

1-(diphenylmethyl)azetidine-3-carbonitrile

Structural Information

Molecular Formula
C17H16N2
SMILES
C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C#N
InChI
InChI=1S/C17H16N2/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,12-13H2
InChIKey
IXMOEAHDRKNAAG-UHFFFAOYSA-N
Compound name
1-benzhydrylazetidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

333
Patents

248.13135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.138626 154.3
[M+Na]+ 271.120568 161.3
[M-H]- 247.124074 159.7
[M+NH4]+ 266.165173 162.1
[M+K]+ 287.094508 159.0
[M+H-H2O]+ 231.128610 134.4
[M+HCOO]- 293.129551 170.2
[M+CH3COO]- 307.145201 163.7
[M+Na-2H]- 269.106016 158.2
[M]+ 248.13080142 154.5
[M]- 248.13189858 154.5
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