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]+ 225.113476 154.8
[M+Na]+ 247.095418 164.6
[M-H]- 223.098924 158.5
[M+NH4]+ 242.140023 169.0
[M+K]+ 263.069358 159.3
[M+H-H2O]+ 207.103460 140.0
[M+HCOO]- 269.104401 175.3
[M+CH3COO]- 283.120051 206.3
[M+Na-2H]- 245.080866 159.8
[M]+ 224.10565142 147.4
[M]- 224.10674858 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.