CID 9588181

1-piperazineacetic acid, 4-methyl-, 2-(2-benzofuranylmethylene)hydrazide

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]+ 301.165906 169.5
[M+Na]+ 323.147848 175.4
[M-H]- 299.151354 175.9
[M+NH4]+ 318.192453 183.1
[M+K]+ 339.121788 172.6
[M+H-H2O]+ 283.155890 159.7
[M+HCOO]- 345.156831 190.7
[M+CH3COO]- 359.172481 208.5
[M+Na-2H]- 321.133296 174.4
[M]+ 300.15808142 169.5
[M]- 300.15917858 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.