CID 212650

24631-54-7

Structural Information

Molecular Formula

C₁₉H₂₉N₅O₄

SMILES

CN(CN1C(=O)C2(CCCCC2)NC1=O)CN3C(=O)C4(CCCCC4)NC3=O

InChI

InChI=1S/C19H29N5O4/c1-22(12-23-14(25)18(20-16(23)27)8-4-2-5-9-18)13-24-15(26)19(21-17(24)28)10-6-3-7-11-19/h2-13H2,1H3,(H,20,27)(H,21,28)

InChIKey

KFACPCVNTQQKHI-UHFFFAOYSA-N

Compound name

3-[[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 391.22195 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	392.229226	194.3
[M+Na]+	414.211168	196.8
[M-H]-	390.214674	197.1
[M+NH4]+	409.255773	206.3
[M+K]+	430.185108	192.6
[M+H-H2O]+	374.219210	184.7
[M+HCOO]-	436.220151	201.4
[M+CH3COO]-	450.235801	217.4
[M+Na-2H]-	412.196616	189.1
[M]+	391.22140142	183.4
[M]-	391.22249858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.