CID 3066017

109377-02-8

Structural Information

Molecular Formula
C22H40N4O3
SMILES
CC(=O)OC(CN1CCCCC1)CN2CCN(CC2)C(=O)CCN3CCCCC3
InChI
InChI=1S/C22H40N4O3/c1-20(27)29-21(18-24-11-6-3-7-12-24)19-25-14-16-26(17-15-25)22(28)8-13-23-9-4-2-5-10-23/h21H,2-19H2,1H3
InChIKey
FEBWAJFYFXKLOO-UHFFFAOYSA-N
Compound name
[1-piperidin-1-yl-3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.31003 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.31731 205.0
[M+Na]+ 431.29925 200.4
[M-H]- 407.30275 204.6
[M+NH4]+ 426.34385 207.9
[M+K]+ 447.27319 197.3
[M+H-H2O]+ 391.30729 191.6
[M+HCOO]- 453.30823 207.4
[M+CH3COO]- 467.32388 223.0
[M+Na-2H]- 429.28470 198.3
[M]+ 408.30948 194.5
[M]- 408.31058 194.5
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.