CID 131608

Ki 1769

Structural Information

Molecular Formula
C15H14N4
SMILES
C1=CC=C(C=C1)CCN=C(C2=CN=CC=C2)NC#N
InChI
InChI=1S/C15H14N4/c16-12-19-15(14-7-4-9-17-11-14)18-10-8-13-5-2-1-3-6-13/h1-7,9,11H,8,10H2,(H,18,19)
InChIKey
SUPZSNPDPSPMTK-UHFFFAOYSA-N
Compound name
N-cyano-N'-(2-phenylethyl)pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

12
Patents

250.12184 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12912 166.1
[M+Na]+ 273.11106 178.2
[M+NH4]+ 268.15566 170.5
[M+K]+ 289.08500 166.7
[M-H]- 249.11456 163.6
[M+Na-2H]- 271.09651 172.5
[M]+ 250.12129 166.2
[M]- 250.12239 166.2
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