CID 3076292

Brn 4319659

Structural Information

Molecular Formula
C13H12N4O
SMILES
COC1=CC=C(C=C1)NC2=C(C(=NC=C2)N)C#N
InChI
InChI=1S/C13H12N4O/c1-18-10-4-2-9(3-5-10)17-12-6-7-16-13(15)11(12)8-14/h2-7H,1H3,(H3,15,16,17)
InChIKey
CTZFBISBQSPPBF-UHFFFAOYSA-N
Compound name
2-amino-4-(4-methoxyanilino)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1011 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 158.7
[M+Na]+ 263.09032 171.2
[M+NH4]+ 258.13492 162.9
[M+K]+ 279.06426 161.2
[M-H]- 239.09382 155.8
[M+Na-2H]- 261.07577 164.2
[M]+ 240.10055 158.8
[M]- 240.10165 158.8
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.