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]+ 266.140026 167.6
[M+Na]+ 288.121968 173.4
[M-H]- 264.125474 171.5
[M+NH4]+ 283.166573 179.7
[M+K]+ 304.095908 168.9
[M+H-H2O]+ 248.130010 151.1
[M+HCOO]- 310.130951 188.4
[M+CH3COO]- 324.146601 215.0
[M+Na-2H]- 286.107416 172.9
[M]+ 265.13220142 159.5
[M]- 265.13329858 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.