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 167.6
[M+Na]+ 288.12197 173.4
[M-H]- 264.12547 171.5
[M+NH4]+ 283.16657 179.7
[M+K]+ 304.09591 168.9
[M+H-H2O]+ 248.13001 151.1
[M+HCOO]- 310.13095 188.4
[M+CH3COO]- 324.14660 215.0
[M+Na-2H]- 286.10742 172.9
[M]+ 265.13220 159.5
[M]- 265.13330 159.5
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.