CID 214477

Pyridine, 1,4-dihydro-4-imino-1-phenethyl-, monohydrochloride

Structural Information

Molecular Formula
C13H14N2
SMILES
C1=CC=C(C=C1)CCN2C=CC(=N)C=C2
InChI
InChI=1S/C13H14N2/c14-13-7-10-15(11-8-13)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,14H,6,9H2
InChIKey
GWBHTLIHECZIDU-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)pyridin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.11569 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.122966 142.6
[M+Na]+ 221.104908 150.1
[M-H]- 197.108414 147.9
[M+NH4]+ 216.149513 160.0
[M+K]+ 237.078848 145.4
[M+H-H2O]+ 181.112950 134.5
[M+HCOO]- 243.113891 167.2
[M+CH3COO]- 257.129541 186.9
[M+Na-2H]- 219.090356 151.0
[M]+ 198.11514142 140.8
[M]- 198.11623858 140.8
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.