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]+ 301.11828 167.0
[M+Na]+ 323.10022 175.3
[M-H]- 299.10372 174.6
[M+NH4]+ 318.14482 178.9
[M+K]+ 339.07416 175.0
[M+H-H2O]+ 283.10826 158.6
[M+HCOO]- 345.10920 181.0
[M+CH3COO]- 359.12485 178.3
[M+Na-2H]- 321.08567 171.9
[M]+ 300.11045 169.0
[M]- 300.11155 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.