CID 3050760

67026-57-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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 165.5
[M+Na]+ 288.12197 171.7
[M-H]- 264.12547 169.4
[M+NH4]+ 283.16657 177.7
[M+K]+ 304.09591 166.7
[M+H-H2O]+ 248.13001 149.0
[M+HCOO]- 310.13095 187.3
[M+CH3COO]- 324.14660 214.2
[M+Na-2H]- 286.10742 172.1
[M]+ 265.13220 158.1
[M]- 265.13330 158.1
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.