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 195.3
[M+Na]+ 430.18496 199.4
[M-H]- 406.18846 197.2
[M+NH4]+ 425.22956 198.4
[M+K]+ 446.15890 192.0
[M+H-H2O]+ 390.19300 176.2
[M+HCOO]- 452.19394 201.3
[M+CH3COO]- 466.20959 199.2
[M+Na-2H]- 428.17041 195.0
[M]+ 407.19519 182.8
[M]- 407.19629 182.8
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.