CID 216214

Fenetradil

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCC(C1=CC=CC=C1)C(=O)OC(CN2CCN(CC2)C)COCC(C)C
InChI
InChI=1S/C22H36N2O3/c1-5-21(19-9-7-6-8-10-19)22(25)27-20(17-26-16-18(2)3)15-24-13-11-23(4)12-14-24/h6-10,18,20-21H,5,11-17H2,1-4H3
InChIKey
JAHOJXDGNNONSL-UHFFFAOYSA-N
Compound name
[1-(4-methylpiperazin-1-yl)-3-(2-methylpropoxy)propan-2-yl] 2-phenylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

376.27258 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.279856 196.7
[M+Na]+ 399.261798 196.6
[M-H]- 375.265304 198.1
[M+NH4]+ 394.306403 204.9
[M+K]+ 415.235738 194.3
[M+H-H2O]+ 359.269840 186.2
[M+HCOO]- 421.270781 208.1
[M+CH3COO]- 435.286431 221.3
[M+Na-2H]- 397.247246 192.3
[M]+ 376.27203142 196.7
[M]- 376.27312858 196.7
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

patents stripe