CID 3079844

Piperidine, 1-((2,4-dichloro-1,8-naphthyridin-3-yl)carbonyl)-

Structural Information

Molecular Formula
C14H13Cl2N3O
SMILES
C1CCN(CC1)C(=O)C2=C(N=C3C(=C2Cl)C=CC=N3)Cl
InChI
InChI=1S/C14H13Cl2N3O/c15-11-9-5-4-6-17-13(9)18-12(16)10(11)14(20)19-7-2-1-3-8-19/h4-6H,1-3,7-8H2
InChIKey
CETVCYJNVSNKGD-UHFFFAOYSA-N
Compound name
(2,4-dichloro-1,8-naphthyridin-3-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.04358 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.05086 166.3
[M+Na]+ 332.03280 174.9
[M-H]- 308.03630 168.1
[M+NH4]+ 327.07740 178.9
[M+K]+ 348.00674 168.2
[M+H-H2O]+ 292.04084 156.8
[M+HCOO]- 354.04178 171.5
[M+CH3COO]- 368.05743 175.7
[M+Na-2H]- 330.01825 169.8
[M]+ 309.04303 165.6
[M]- 309.04413 165.6
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.