CID 24842204

Piperazine, 4-methyl-1-((7-methylfuro(2,3-f)-1,4-benzodioxin-8-yl)carbonyl)-, hydrochloride

Structural Information

Molecular Formula
C17H18N2O4
SMILES
CC1=C(OC2=C1C=CC3=C2OC=CO3)C(=O)N4CCN(CC4)C
InChI
InChI=1S/C17H18N2O4/c1-11-12-3-4-13-16(22-10-9-21-13)15(12)23-14(11)17(20)19-7-5-18(2)6-8-19/h3-4,9-10H,5-8H2,1-2H3
InChIKey
UWRSFYMSHNBCRB-UHFFFAOYSA-N
Compound name
(7-methylfuro[3,2-h][1,4]benzodioxin-8-yl)-(4-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12665 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13393 172.8
[M+Na]+ 337.11587 181.5
[M-H]- 313.11937 180.6
[M+NH4]+ 332.16047 184.3
[M+K]+ 353.08981 181.0
[M+H-H2O]+ 297.12391 164.3
[M+HCOO]- 359.12485 186.3
[M+CH3COO]- 373.14050 183.9
[M+Na-2H]- 335.10132 176.3
[M]+ 314.12610 175.5
[M]- 314.12720 175.5
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.