CID 6018786

(2e)-2-cyano-n-cyclohexyl-3-[4-oxo-2-(1-piperidinyl)-4h-pyrido[1,2-a]pyrimidin-3-yl]-2-propenamide

Structural Information

Molecular Formula
C23H27N5O2
SMILES
C1CCC(CC1)NC(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCCCC4)/C#N
InChI
InChI=1S/C23H27N5O2/c24-16-17(22(29)25-18-9-3-1-4-10-18)15-19-21(27-12-6-2-7-13-27)26-20-11-5-8-14-28(20)23(19)30/h5,8,11,14-15,18H,1-4,6-7,9-10,12-13H2,(H,25,29)/b17-15+
InChIKey
RMRPVEDXXWHMNC-BMRADRMJSA-N
Compound name
(E)-2-cyano-N-cyclohexyl-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.21646 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.22374 197.2
[M+Na]+ 428.20568 200.9
[M-H]- 404.20918 198.5
[M+NH4]+ 423.25028 201.6
[M+K]+ 444.17962 191.5
[M+H-H2O]+ 388.21372 178.3
[M+HCOO]- 450.21466 203.6
[M+CH3COO]- 464.23031 200.7
[M+Na-2H]- 426.19113 195.9
[M]+ 405.21591 183.2
[M]- 405.21701 183.2
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.