CID 455385

Bhap furyl pyridyl deriv.

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CCNC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC=CO3
InChI
InChI=1S/C16H20N4O2/c1-2-17-13-5-3-7-18-15(13)19-8-10-20(11-9-19)16(21)14-6-4-12-22-14/h3-7,12,17H,2,8-11H2,1H3
InChIKey
OBPWOABAVSNKSD-UHFFFAOYSA-N
Compound name
[4-[3-(ethylamino)pyridin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.15863 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 171.0
[M+Na]+ 323.14785 175.8
[M-H]- 299.15135 176.7
[M+NH4]+ 318.19245 181.4
[M+K]+ 339.12179 172.9
[M+H-H2O]+ 283.15589 160.1
[M+HCOO]- 345.15683 188.2
[M+CH3COO]- 359.17248 180.5
[M+Na-2H]- 321.13330 173.0
[M]+ 300.15808 168.3
[M]- 300.15918 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.