CID 35506

30805-19-7

Structural Information

Molecular Formula

C₁₂H₂₁N₃O₃

SMILES

CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC

InChI

InChI=1S/C12H21N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-9H2,1-3H3

InChIKey

AEPJNZPJFYDQLM-UHFFFAOYSA-N

Compound name

1-[3,5-di(propanoyl)-1,3,5-triazinan-1-yl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 255.1583 Da
Monoisotopic Mass: 0.2
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]+	256.16558	161.4
[M+Na]+	278.14752	169.7
[M+NH4]+	273.19212	165.5
[M+K]+	294.12146	166.5
[M-H]-	254.15102	158.7
[M+Na-2H]-	276.13297	162.0
[M]+	255.15775	161.2
[M]-	255.15885	161.2

Literature stripe

literature stripe

Patent stripe

patents stripe