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 158.0
[M+Na]+ 260.09066 165.0
[M-H]- 236.09416 162.2
[M+NH4]+ 255.13526 171.3
[M+K]+ 276.06460 160.4
[M+H-H2O]+ 220.09870 141.9
[M+HCOO]- 282.09964 180.4
[M+CH3COO]- 296.11529 208.8
[M+Na-2H]- 258.07611 165.5
[M]+ 237.10089 149.9
[M]- 237.10199 149.9
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.