CID 1536214

477734-60-4

Structural Information

Molecular Formula
C22H25N5O3
SMILES
C1CCC(CC1)NC(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCOCC4)/C#N
InChI
InChI=1S/C22H25N5O3/c23-15-16(21(28)24-17-6-2-1-3-7-17)14-18-20(26-10-12-30-13-11-26)25-19-8-4-5-9-27(19)22(18)29/h4-5,8-9,14,17H,1-3,6-7,10-13H2,(H,24,28)/b16-14+
InChIKey
YSJCYFBGZSVVHW-JQIJEIRASA-N
Compound name
(E)-2-cyano-N-cyclohexyl-3-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.19574 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.20302 205.2
[M+Na]+ 430.18496 215.3
[M+NH4]+ 425.22956 206.7
[M+K]+ 446.15890 205.6
[M-H]- 406.18846 202.2
[M+Na-2H]- 428.17041 206.0
[M]+ 407.19519 204.6
[M]- 407.19629 204.6
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.