CID 3050755

Brn 0428497

Structural Information

Molecular Formula
C15H15N5
SMILES
CC1=C(C(=CC=C1)C)N=C(NC#N)NC2=CN=CC=C2
InChI
InChI=1S/C15H15N5/c1-11-5-3-6-12(2)14(11)20-15(18-10-16)19-13-7-4-8-17-9-13/h3-9H,1-2H3,(H2,18,19,20)
InChIKey
GFWPQBVAHDZYIO-UHFFFAOYSA-N
Compound name
1-cyano-2-(2,6-dimethylphenyl)-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

265.13275 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14003 169.6
[M+Na]+ 288.12197 181.2
[M+NH4]+ 283.16657 173.6
[M+K]+ 304.09591 170.4
[M-H]- 264.12547 167.4
[M+Na-2H]- 286.10742 175.2
[M]+ 265.13220 169.7
[M]- 265.13330 169.7
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.