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 167.3
[M+Na]+ 288.12197 175.1
[M-H]- 264.12547 172.0
[M+NH4]+ 283.16657 180.2
[M+K]+ 304.09591 170.4
[M+H-H2O]+ 248.13001 151.3
[M+HCOO]- 310.13095 189.1
[M+CH3COO]- 324.14660 216.3
[M+Na-2H]- 286.10742 172.4
[M]+ 265.13220 160.6
[M]- 265.13330 160.6
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.