CID 56773873

6-chloro-2-(piperidin-1-yl)-1,8-naphthyridine-3-carbonitrile

Structural Information

Molecular Formula
C14H13ClN4
SMILES
C1CCN(CC1)C2=NC3=NC=C(C=C3C=C2C#N)Cl
InChI
InChI=1S/C14H13ClN4/c15-12-7-10-6-11(8-16)14(18-13(10)17-9-12)19-4-2-1-3-5-19/h6-7,9H,1-5H2
InChIKey
XAXJTISLOQAGJI-UHFFFAOYSA-N
Compound name
6-chloro-2-piperidin-1-yl-1,8-naphthyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0829 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09018 159.0
[M+Na]+ 295.07212 169.4
[M-H]- 271.07562 159.7
[M+NH4]+ 290.11672 170.9
[M+K]+ 311.04606 160.8
[M+H-H2O]+ 255.08016 142.7
[M+HCOO]- 317.08110 167.1
[M+CH3COO]- 331.09675 167.6
[M+Na-2H]- 293.05757 163.8
[M]+ 272.08235 151.7
[M]- 272.08345 151.7
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.