CID 3064501

Brn 5598222

Structural Information

Molecular Formula
C16H18N4O2
SMILES
COC1=C(C=C(C=C1)CCNC2=C(C(=NC=C2)N)C#N)OC
InChI
InChI=1S/C16H18N4O2/c1-21-14-4-3-11(9-15(14)22-2)5-7-19-13-6-8-20-16(18)12(13)10-17/h3-4,6,8-9H,5,7H2,1-2H3,(H3,18,19,20)
InChIKey
DYDUQMCKORIYKW-UHFFFAOYSA-N
Compound name
2-amino-4-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.14297 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 172.9
[M+Na]+ 321.13219 184.7
[M+NH4]+ 316.17679 176.1
[M+K]+ 337.10613 174.8
[M-H]- 297.13569 169.5
[M+Na-2H]- 319.11764 177.1
[M]+ 298.14242 172.7
[M]- 298.14352 172.7
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.