CID 9588181

Brn 0824360

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CN1CCN(CC1)CC(=O)N/N=C/C2=CC3=CC=CC=C3O2
InChI
InChI=1S/C16H20N4O2/c1-19-6-8-20(9-7-19)12-16(21)18-17-11-14-10-13-4-2-3-5-15(13)22-14/h2-5,10-11H,6-9,12H2,1H3,(H,18,21)/b17-11+
InChIKey
LVBJWUSNWCGBPO-GZTJUZNOSA-N
Compound name
N-[(E)-1-benzofuran-2-ylmethylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.15863 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.16591 169.5
[M+Na]+ 323.14785 175.4
[M-H]- 299.15135 175.9
[M+NH4]+ 318.19245 183.1
[M+K]+ 339.12179 172.6
[M+H-H2O]+ 283.15589 159.7
[M+HCOO]- 345.15683 190.7
[M+CH3COO]- 359.17248 208.5
[M+Na-2H]- 321.13330 174.4
[M]+ 300.15808 169.5
[M]- 300.15918 169.5
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.