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 171.7
[M+Na]+ 323.17300 178.3
[M-H]- 299.17650 176.1
[M+NH4]+ 318.21760 185.9
[M+K]+ 339.14694 173.8
[M+H-H2O]+ 283.18104 162.8
[M+HCOO]- 345.18198 184.4
[M+CH3COO]- 359.19763 181.4
[M+Na-2H]- 321.15845 173.6
[M]+ 300.18323 168.8
[M]- 300.18433 168.8
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.