CID 6480053

(e)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1h-pyridine-4-carbonyl]phenyl]-2-(3-pyridyl)prop-2-enenitrile

Structural Information

Molecular Formula
C25H24N4O2
SMILES
CCC1=C(NC(=O)C(=C1C(=O)C2=CC=CC(=C2)/C=C(/C#N)\C3=CN=CC=C3)N(C)C)C
InChI
InChI=1S/C25H24N4O2/c1-5-21-16(2)28-25(31)23(29(3)4)22(21)24(30)18-9-6-8-17(12-18)13-20(14-26)19-10-7-11-27-15-19/h6-13,15H,5H2,1-4H3,(H,28,31)/b20-13-
InChIKey
MZURJJDRIVDHBD-MOSHPQCFSA-N
Compound name
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-pyridin-3-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.1899 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.19718 206.9
[M+Na]+ 435.17912 214.8
[M-H]- 411.18262 211.1
[M+NH4]+ 430.22372 212.4
[M+K]+ 451.15306 207.0
[M+H-H2O]+ 395.18716 188.8
[M+HCOO]- 457.18810 220.8
[M+CH3COO]- 471.20375 238.8
[M+Na-2H]- 433.16457 204.0
[M]+ 412.18935 201.8
[M]- 412.19045 201.8
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.