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

328
Patents

248.13135 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13863 154.3
[M+Na]+ 271.12057 161.3
[M-H]- 247.12407 159.7
[M+NH4]+ 266.16517 162.1
[M+K]+ 287.09451 159.0
[M+H-H2O]+ 231.12861 134.4
[M+HCOO]- 293.12955 170.2
[M+CH3COO]- 307.14520 163.7
[M+Na-2H]- 269.10602 158.2
[M]+ 248.13080 154.5
[M]- 248.13190 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.