CID 3058109

2,4(1h,3h)-pyridinedione, 3,3-diethyl-1-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C18H31N3O3
SMILES
CCC1(C(=O)C=CN(C1=O)CCCN2CCN(CC2)CCO)CC
InChI
InChI=1S/C18H31N3O3/c1-3-18(4-2)16(23)6-9-21(17(18)24)8-5-7-19-10-12-20(13-11-19)14-15-22/h6,9,22H,3-5,7-8,10-15H2,1-2H3
InChIKey
WAVZKMITASRBNI-UHFFFAOYSA-N
Compound name
3,3-diethyl-1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.23654 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24382 185.0
[M+Na]+ 360.22576 189.3
[M-H]- 336.22926 184.7
[M+NH4]+ 355.27036 195.8
[M+K]+ 376.19970 185.1
[M+H-H2O]+ 320.23380 175.6
[M+HCOO]- 382.23474 196.2
[M+CH3COO]- 396.25039 210.3
[M+Na-2H]- 358.21121 184.0
[M]+ 337.23599 182.9
[M]- 337.23709 182.9
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.