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]+ 354.156076 182.3
[M+Na]+ 376.138018 189.2
[M-H]- 352.141524 183.1
[M+NH4]+ 371.182623 188.2
[M+K]+ 392.111958 183.7
[M+H-H2O]+ 336.146060 164.5
[M+HCOO]- 398.147001 192.4
[M+CH3COO]- 412.162651 224.0
[M+Na-2H]- 374.123466 184.3
[M]+ 353.14825142 174.7
[M]- 353.14934858 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.