CID 1536219

477734-57-9

Structural Information

Molecular Formula
C23H27N5O3
SMILES
CC1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(\C#N)/C(=O)N4CCOCC4
InChI
InChI=1S/C23H27N5O3/c1-16-5-8-26(9-6-16)21-19(23(30)28-7-3-4-17(2)20(28)25-21)14-18(15-24)22(29)27-10-12-31-13-11-27/h3-4,7,14,16H,5-6,8-13H2,1-2H3/b18-14+
InChIKey
OJLLCUYOJFFZSS-NBVRZTHBSA-N
Compound name
(E)-3-[9-methyl-2-(4-methylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(morpholine-4-carbonyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.2114 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.21868 206.8
[M+Na]+ 444.20062 218.4
[M+NH4]+ 439.24522 208.0
[M+K]+ 460.17456 208.9
[M-H]- 420.20412 203.1
[M+Na-2H]- 442.18607 207.1
[M]+ 421.21085 206.3
[M]- 421.21195 206.3
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.