CID 135424354

Ethirimol

Structural Information

Molecular Formula

C₁₁H₁₉N₃O

SMILES

CCCCC1=C(N=C(NC1=O)NCC)C

InChI

InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)

InChIKey

BBXXLROWFHWFQY-UHFFFAOYSA-N

Compound name

5-butyl-2-(ethylamino)-4-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 7
References: 19274
Patents: 209.15282 Da
Monoisotopic Mass: 1.7
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]+	210.16010	149.1
[M+Na]+	232.14204	157.5
[M-H]-	208.14554	149.0
[M+NH4]+	227.18664	165.2
[M+K]+	248.11598	153.7
[M+H-H2O]+	192.15008	141.7
[M+HCOO]-	254.15102	170.3
[M+CH3COO]-	268.16667	189.7
[M+Na-2H]-	230.12749	153.9
[M]+	209.15227	150.1
[M]-	209.15337	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe