CID 478035

Chembl2263587

Structural Information

Molecular Formula
C15H17ClN4O
SMILES
CC(=O)NC1=NC2=C(C=C1)C(=CC(=N2)N3CCCCC3)Cl
InChI
InChI=1S/C15H17ClN4O/c1-10(21)17-13-6-5-11-12(16)9-14(19-15(11)18-13)20-7-3-2-4-8-20/h5-6,9H,2-4,7-8H2,1H3,(H,17,18,19,21)
InChIKey
UNFUAJOVXFYJSZ-UHFFFAOYSA-N
Compound name
N-(5-chloro-7-piperidin-1-yl-1,8-naphthyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.1091 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11638 170.0
[M+Na]+ 327.09832 177.1
[M-H]- 303.10182 172.5
[M+NH4]+ 322.14292 182.1
[M+K]+ 343.07226 171.0
[M+H-H2O]+ 287.10636 160.0
[M+HCOO]- 349.10730 181.1
[M+CH3COO]- 363.12295 179.2
[M+Na-2H]- 325.08377 174.4
[M]+ 304.10855 168.0
[M]- 304.10965 168.0
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.