CID 3042797

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
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

patents stripe