CID 486983

4-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1h-pyridin-4-yl]methylamino]benzonitrile

Structural Information

Molecular Formula
C18H22N4O
SMILES
CCC1=C(NC(=O)C(=C1CNC2=CC=C(C=C2)C#N)N(C)C)C
InChI
InChI=1S/C18H22N4O/c1-5-15-12(2)21-18(23)17(22(3)4)16(15)11-20-14-8-6-13(10-19)7-9-14/h6-9,20H,5,11H2,1-4H3,(H,21,23)
InChIKey
SQSWLMMLUBUDNN-UHFFFAOYSA-N
Compound name
4-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridin-4-yl]methylamino]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.17935 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18663 178.3
[M+Na]+ 333.16857 187.4
[M-H]- 309.17207 182.5
[M+NH4]+ 328.21317 189.9
[M+K]+ 349.14251 182.2
[M+H-H2O]+ 293.17661 162.9
[M+HCOO]- 355.17755 197.2
[M+CH3COO]- 369.19320 224.6
[M+Na-2H]- 331.15402 179.2
[M]+ 310.17880 174.0
[M]- 310.17990 174.0
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.