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

7
Patents

315.16953 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17681 176.7
[M+Na]+ 338.15875 182.0
[M-H]- 314.16225 176.6
[M+NH4]+ 333.20335 185.3
[M+K]+ 354.13269 176.7
[M+H-H2O]+ 298.16679 165.5
[M+HCOO]- 360.16773 189.4
[M+CH3COO]- 374.18338 184.3
[M+Na-2H]- 336.14420 180.8
[M]+ 315.16898 173.0
[M]- 315.17008 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