CID 118937

(benzylphenylamino)acetonitrile

Structural Information

Molecular Formula
C15H14N2
SMILES
C1=CC=C(C=C1)CN(CC#N)C2=CC=CC=C2
InChI
InChI=1S/C15H14N2/c16-11-12-17(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10H,12-13H2
InChIKey
GNBSIDZPFKKPIP-UHFFFAOYSA-N
Compound name
2-(N-benzylanilino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

222.11569 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.122966 155.2
[M+Na]+ 245.104908 163.3
[M-H]- 221.108414 161.0
[M+NH4]+ 240.149513 171.2
[M+K]+ 261.078848 158.1
[M+H-H2O]+ 205.112950 140.7
[M+HCOO]- 267.113891 176.6
[M+CH3COO]- 281.129541 205.5
[M+Na-2H]- 243.090356 161.2
[M]+ 222.11514142 149.8
[M]- 222.11623858 149.8
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