CID 48875

67026-56-6

Structural Information

Molecular Formula
C15H15N5
SMILES
CC(C1=CC=CC=C1)N=C(NC#N)NC2=CC=NC=C2
InChI
InChI=1S/C15H15N5/c1-12(13-5-3-2-4-6-13)19-15(18-11-16)20-14-7-9-17-10-8-14/h2-10,12H,1H3,(H2,17,18,19,20)
InChIKey
VBLIIDRTXNNNRX-UHFFFAOYSA-N
Compound name
1-cyano-2-(1-phenylethyl)-3-pyridin-4-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

265.13275 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14003 171.1
[M+Na]+ 288.12197 181.7
[M+NH4]+ 283.16657 174.9
[M+K]+ 304.09591 171.2
[M-H]- 264.12547 168.6
[M+Na-2H]- 286.10742 176.7
[M]+ 265.13220 170.9
[M]- 265.13330 170.9
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.