CID 5280296

1-piperazineacetonitrile, 4-benzoyl-.alpha.-[(1,6-naphthyridin-2-yl)carbonyl]-

Structural Information

Molecular Formula
C22H19N5O2
SMILES
C1CN(CCN1C(C#N)C(=O)C2=NC3=C(C=C2)C=NC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H19N5O2/c23-14-20(21(28)19-7-6-17-15-24-9-8-18(17)25-19)26-10-12-27(13-11-26)22(29)16-4-2-1-3-5-16/h1-9,15,20H,10-13H2
InChIKey
YFVOAACMJBRKAC-UHFFFAOYSA-N
Compound name
2-(4-benzoylpiperazin-1-yl)-3-(1,6-naphthyridin-2-yl)-3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.15387 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.16115 191.1
[M+Na]+ 408.14309 196.7
[M-H]- 384.14659 191.5
[M+NH4]+ 403.18769 194.7
[M+K]+ 424.11703 187.9
[M+H-H2O]+ 368.15113 171.3
[M+HCOO]- 430.15207 198.1
[M+CH3COO]- 444.16772 195.5
[M+Na-2H]- 406.12854 192.0
[M]+ 385.15332 181.0
[M]- 385.15442 181.0
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.