CID 1192923

477735-19-6

Structural Information

Molecular Formula
C21H23N5O3
SMILES
C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C(\C#N)/C(=O)N4CCOCC4
InChI
InChI=1S/C21H23N5O3/c22-15-16(20(27)25-10-12-29-13-11-25)14-17-19(24-7-3-1-4-8-24)23-18-6-2-5-9-26(18)21(17)28/h2,5-6,9,14H,1,3-4,7-8,10-13H2/b16-14+
InChIKey
TXLKLFZKFYTAIR-JQIJEIRASA-N
Compound name
(E)-2-(morpholine-4-carbonyl)-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.18008 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18736 189.9
[M+Na]+ 416.16930 195.0
[M-H]- 392.17280 190.6
[M+NH4]+ 411.21390 192.4
[M+K]+ 432.14324 187.5
[M+H-H2O]+ 376.17734 170.1
[M+HCOO]- 438.17828 194.0
[M+CH3COO]- 452.19393 193.9
[M+Na-2H]- 414.15475 189.4
[M]+ 393.17953 178.0
[M]- 393.18063 178.0
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.