CID 3074391

Piperidine, 1-((4-chloro-3-(cyclopropylamino)-1,8-naphthyridin-3-yl)carbonyl)-

Structural Information

Molecular Formula
C17H19ClN4O
SMILES
C1CCN(CC1)C(=O)C2=C(N=C3C(=C2Cl)C=CC=N3)NC4CC4
InChI
InChI=1S/C17H19ClN4O/c18-14-12-5-4-8-19-15(12)21-16(20-11-6-7-11)13(14)17(23)22-9-2-1-3-10-22/h4-5,8,11H,1-3,6-7,9-10H2,(H,19,20,21)
InChIKey
WAXOAFSDGRIOLR-UHFFFAOYSA-N
Compound name
[4-chloro-2-(cyclopropylamino)-1,8-naphthyridin-3-yl]-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.12473 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13201 181.5
[M+Na]+ 353.11395 189.2
[M-H]- 329.11745 186.8
[M+NH4]+ 348.15855 187.6
[M+K]+ 369.08789 181.8
[M+H-H2O]+ 313.12199 171.0
[M+HCOO]- 375.12293 192.8
[M+CH3COO]- 389.13858 189.5
[M+Na-2H]- 351.09940 184.3
[M]+ 330.12418 180.8
[M]- 330.12528 180.8
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.