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
1
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]+ 377.27986 196.7
[M+Na]+ 399.26180 196.6
[M-H]- 375.26530 198.1
[M+NH4]+ 394.30640 204.9
[M+K]+ 415.23574 194.3
[M+H-H2O]+ 359.26984 186.2
[M+HCOO]- 421.27078 208.1
[M+CH3COO]- 435.28643 221.3
[M+Na-2H]- 397.24725 192.3
[M]+ 376.27203 196.7
[M]- 376.27313 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

No patent data available for this compound.