CID 6480023

Chembl185715

Structural Information

Molecular Formula
C20H23N3O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CC(=CC=C2)/C=C/C#N)N(C)C)C
InChI
InChI=1S/C20H23N3O/c1-5-17-14(2)22-20(24)19(23(3)4)18(17)13-16-9-6-8-15(12-16)10-7-11-21/h6-10,12H,5,13H2,1-4H3,(H,22,24)/b10-7+
InChIKey
YXUOXSKHQFTJAO-JXMROGBWSA-N
Compound name
(E)-3-[3-[[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 181.1
[M+Na]+ 344.17332 190.9
[M-H]- 320.17682 185.3
[M+NH4]+ 339.21792 192.8
[M+K]+ 360.14726 184.4
[M+H-H2O]+ 304.18136 165.9
[M+HCOO]- 366.18230 198.9
[M+CH3COO]- 380.19795 224.0
[M+Na-2H]- 342.15877 180.9
[M]+ 321.18355 177.6
[M]- 321.18465 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.