CID 24842185

Piperazine, 1-((furo(2,3-g)-1,4-benzodioxin-7-yl)carbonyl)-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CN1CCN(CC1)C(=O)C2=CC3=CC4=C(C=C3O2)OC=CO4
InChI
InChI=1S/C16H16N2O4/c1-17-2-4-18(5-3-17)16(19)15-9-11-8-13-14(10-12(11)22-15)21-7-6-20-13/h6-10H,2-5H2,1H3
InChIKey
KYQJESBPINFARY-UHFFFAOYSA-N
Compound name
furo[2,3-g][1,4]benzodioxin-7-yl-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.111 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.118276 167.0
[M+Na]+ 323.100218 175.3
[M-H]- 299.103724 174.6
[M+NH4]+ 318.144823 178.9
[M+K]+ 339.074158 175.0
[M+H-H2O]+ 283.108260 158.6
[M+HCOO]- 345.109201 181.0
[M+CH3COO]- 359.124851 178.3
[M+Na-2H]- 321.085666 171.9
[M]+ 300.11045142 169.0
[M]- 300.11154858 169.0
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

No patent data available for this compound.