CID 6446805

Brn 0557382

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC(CN1CCN(CC1)C)C(/C=C/C2=CC3=C(C=C2)OCO3)O
InChI
InChI=1S/C18H26N2O3/c1-14(12-20-9-7-19(2)8-10-20)16(21)5-3-15-4-6-17-18(11-15)23-13-22-17/h3-6,11,14,16,21H,7-10,12-13H2,1-2H3/b5-3+
InChIKey
FMNSHZXQSOOADQ-HWKANZROSA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-4-methyl-5-(4-methylpiperazin-1-yl)pent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 178.5
[M+Na]+ 341.18356 188.3
[M+NH4]+ 336.22816 184.7
[M+K]+ 357.15750 185.2
[M-H]- 317.18706 182.3
[M+Na-2H]- 339.16901 179.8
[M]+ 318.19379 180.6
[M]- 318.19489 180.6
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.