CID 1536217

477734-66-0

Structural Information

Molecular Formula
C18H19N5O3
SMILES
CCNC(=O)/C(=C/C1=C(N=C2C=CC=CN2C1=O)N3CCOCC3)/C#N
InChI
InChI=1S/C18H19N5O3/c1-2-20-17(24)13(12-19)11-14-16(22-7-9-26-10-8-22)21-15-5-3-4-6-23(15)18(14)25/h3-6,11H,2,7-10H2,1H3,(H,20,24)/b13-11+
InChIKey
CERQGBCTFLADNT-ACCUITESSA-N
Compound name
(E)-2-cyano-N-ethyl-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

6
References

0
Patents

353.1488 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15608 182.3
[M+Na]+ 376.13802 189.2
[M-H]- 352.14152 183.1
[M+NH4]+ 371.18262 188.2
[M+K]+ 392.11196 183.7
[M+H-H2O]+ 336.14606 164.5
[M+HCOO]- 398.14700 192.4
[M+CH3COO]- 412.16265 224.0
[M+Na-2H]- 374.12347 184.3
[M]+ 353.14825 174.7
[M]- 353.14935 174.7
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.