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 171.0
[M+Na]+ 321.13219 180.0
[M-H]- 297.13569 174.6
[M+NH4]+ 316.17679 182.6
[M+K]+ 337.10613 175.6
[M+H-H2O]+ 281.14023 155.4
[M+HCOO]- 343.14117 191.0
[M+CH3COO]- 357.15682 219.4
[M+Na-2H]- 319.11764 174.1
[M]+ 298.14242 167.4
[M]- 298.14352 167.4
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.