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]+ 266.140026 167.3
[M+Na]+ 288.121968 175.1
[M-H]- 264.125474 172.0
[M+NH4]+ 283.166573 180.2
[M+K]+ 304.095908 170.4
[M+H-H2O]+ 248.130010 151.3
[M+HCOO]- 310.130951 189.1
[M+CH3COO]- 324.146601 216.3
[M+Na-2H]- 286.107416 172.4
[M]+ 265.13220142 160.6
[M]- 265.13329858 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.