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]+ 331.132006 181.5
[M+Na]+ 353.113948 189.2
[M-H]- 329.117454 186.8
[M+NH4]+ 348.158553 187.6
[M+K]+ 369.087888 181.8
[M+H-H2O]+ 313.121990 171.0
[M+HCOO]- 375.122931 192.8
[M+CH3COO]- 389.138581 189.5
[M+Na-2H]- 351.099396 184.3
[M]+ 330.12418142 180.8
[M]- 330.12527858 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.