CID 3088612

4-dibenzofuranol, 6,7,8,9-tetrahydro-3-((4-methyl-1-piperazinyl)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CN1CCN(CC1)CC2=C(C3=C(C=C2)C4=C(O3)CCCC4)O
InChI
InChI=1S/C18H24N2O2/c1-19-8-10-20(11-9-19)12-13-6-7-15-14-4-2-3-5-16(14)22-18(15)17(13)21/h6-7,21H,2-5,8-12H2,1H3
InChIKey
TWKACOFRNAWCHZ-UHFFFAOYSA-N
Compound name
3-[(4-methylpiperazin-1-yl)methyl]-6,7,8,9-tetrahydrodibenzofuran-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 172.2
[M+Na]+ 323.17300 185.6
[M+NH4]+ 318.21760 181.0
[M+K]+ 339.14694 179.9
[M-H]- 299.17650 177.3
[M+Na-2H]- 321.15845 176.2
[M]+ 300.18323 175.6
[M]- 300.18433 175.6
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.