CID 25183

Brn 1318739

Structural Information

Molecular Formula
C18H16N2
SMILES
C1CN(CC=C1C2=CC=CC=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C18H16N2/c19-14-15-6-8-18(9-7-15)20-12-10-17(11-13-20)16-4-2-1-3-5-16/h1-10H,11-13H2
InChIKey
LSLFIQOFFHSUSD-UHFFFAOYSA-N
Compound name
4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.13135 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.138626 163.9
[M+Na]+ 283.120568 172.7
[M-H]- 259.124074 169.3
[M+NH4]+ 278.165173 176.8
[M+K]+ 299.094508 164.4
[M+H-H2O]+ 243.128610 148.0
[M+HCOO]- 305.129551 180.3
[M+CH3COO]- 319.145201 173.2
[M+Na-2H]- 281.106016 167.9
[M]+ 260.13080142 154.9
[M]- 260.13189858 154.9
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.