CID 3042805

Brn 0421309

Structural Information

Molecular Formula
C15H15N5
SMILES
C1=CC=C(C=C1)CCN=C(NC#N)NC2=CN=CC=C2
InChI
InChI=1S/C15H15N5/c16-12-19-15(20-14-7-4-9-17-11-14)18-10-8-13-5-2-1-3-6-13/h1-7,9,11H,8,10H2,(H2,18,19,20)
InChIKey
IIKZPEBRTNYSJD-UHFFFAOYSA-N
Compound name
1-cyano-2-(2-phenylethyl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

265.13275 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14003 171.3
[M+Na]+ 288.12197 182.2
[M+NH4]+ 283.16657 175.2
[M+K]+ 304.09591 171.0
[M-H]- 264.12547 169.0
[M+Na-2H]- 286.10742 177.2
[M]+ 265.13220 171.2
[M]- 265.13330 171.2
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