CID 3050762

Guanidine, 2-cyano-1-phenyl-3-(4-pyridyl)-

Structural Information

Molecular Formula
C13H11N5
SMILES
C1=CC=C(C=C1)NC(=NC2=CC=NC=C2)NC#N
InChI
InChI=1S/C13H11N5/c14-10-16-13(17-11-4-2-1-3-5-11)18-12-6-8-15-9-7-12/h1-9H,(H2,15,16,17,18)
InChIKey
RPHUDSZKQLPODJ-UHFFFAOYSA-N
Compound name
1-cyano-3-phenyl-2-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

237.10144 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10872 163.2
[M+Na]+ 260.09066 174.5
[M+NH4]+ 255.13526 167.5
[M+K]+ 276.06460 163.7
[M-H]- 236.09416 161.0
[M+Na-2H]- 258.07611 169.6
[M]+ 237.10089 163.2
[M]- 237.10199 163.2
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

No patent data available for this compound.