CID 6447020

6-(1,3-benzodioxol-5-ylmethylene)-2-methyl-2-((4-methyl-1-piperazinyl)methyl)cyclohexanol

Structural Information

Molecular Formula
C21H30N2O3
SMILES
CC1(CCC/C(=C\C2=CC3=C(C=C2)OCO3)/C1O)CN4CCN(CC4)C
InChI
InChI=1S/C21H30N2O3/c1-21(14-23-10-8-22(2)9-11-23)7-3-4-17(20(21)24)12-16-5-6-18-19(13-16)26-15-25-18/h5-6,12-13,20,24H,3-4,7-11,14-15H2,1-2H3/b17-12+
InChIKey
PKXCDDUOKQKERX-SFQUDFHCSA-N
Compound name
(6E)-6-(1,3-benzodioxol-5-ylmethylidene)-2-methyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.22565 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.23293 190.1
[M+Na]+ 381.21487 201.0
[M+NH4]+ 376.25947 198.5
[M+K]+ 397.18881 194.5
[M-H]- 357.21837 196.6
[M+Na-2H]- 379.20032 193.7
[M]+ 358.22510 193.5
[M]- 358.22620 193.5
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.