CID 3076293

Brn 4317348

Structural Information

Molecular Formula
C13H12N4
SMILES
CC1=CC(=CC=C1)NC2=C(C(=NC=C2)N)C#N
InChI
InChI=1S/C13H12N4/c1-9-3-2-4-10(7-9)17-12-5-6-16-13(15)11(12)8-14/h2-7H,1H3,(H3,15,16,17)
InChIKey
WOXVKEFEHVKUMU-UHFFFAOYSA-N
Compound name
2-amino-4-(3-methylanilino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.1062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11348 155.8
[M+Na]+ 247.09542 168.8
[M+NH4]+ 242.14002 160.5
[M+K]+ 263.06936 158.3
[M-H]- 223.09892 153.4
[M+Na-2H]- 245.08087 161.8
[M]+ 224.10565 156.2
[M]- 224.10675 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.