CID 3065021

Acetamide, n-(8-(4-(2-hydroxyethyl)-1-piperazinyl)-1,7-naphthyridin-6-yl)-

Structural Information

Molecular Formula
C16H21N5O2
SMILES
CC(=O)NC1=NC(=C2C(=C1)C=CC=N2)N3CCN(CC3)CCO
InChI
InChI=1S/C16H21N5O2/c1-12(23)18-14-11-13-3-2-4-17-15(13)16(19-14)21-7-5-20(6-8-21)9-10-22/h2-4,11,22H,5-10H2,1H3,(H,18,19,23)
InChIKey
CGMXVFABDHCYOC-UHFFFAOYSA-N
Compound name
N-[8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,7-naphthyridin-6-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

315.16953 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.176806 176.7
[M+Na]+ 338.158748 182.0
[M-H]- 314.162254 176.6
[M+NH4]+ 333.203353 185.3
[M+K]+ 354.132688 176.7
[M+H-H2O]+ 298.166790 165.5
[M+HCOO]- 360.167731 189.4
[M+CH3COO]- 374.183381 184.3
[M+Na-2H]- 336.144196 180.8
[M]+ 315.16898142 173.0
[M]- 315.17007858 173.0
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

patents stripe