CID 3066008

109376-96-7

Structural Information

Molecular Formula
C20H39N5O2
SMILES
CN1CCN(CC1)CC(CN2CCN(CC2)C(=O)CCN3CCCCC3)O
InChI
InChI=1S/C20H39N5O2/c1-21-9-11-23(12-10-21)17-19(26)18-24-13-15-25(16-14-24)20(27)5-8-22-6-3-2-4-7-22/h19,26H,2-18H2,1H3
InChIKey
LECADJUFNHOOPJ-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.31036 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.31764 201.3
[M+Na]+ 404.29958 198.3
[M-H]- 380.30308 198.8
[M+NH4]+ 399.34418 203.8
[M+K]+ 420.27352 193.9
[M+H-H2O]+ 364.30762 187.8
[M+HCOO]- 426.30856 202.1
[M+CH3COO]- 440.32421 217.3
[M+Na-2H]- 402.28503 195.3
[M]+ 381.30981 189.2
[M]- 381.31091 189.2
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.