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 154.8
[M+Na]+ 247.09542 164.6
[M-H]- 223.09892 158.5
[M+NH4]+ 242.14002 169.0
[M+K]+ 263.06936 159.3
[M+H-H2O]+ 207.10346 140.0
[M+HCOO]- 269.10440 175.3
[M+CH3COO]- 283.12005 206.3
[M+Na-2H]- 245.08087 159.8
[M]+ 224.10565 147.4
[M]- 224.10675 147.4
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.