CID 253730

1-isopropyldihydropyrimidine-2,4(1h,3h)-dione

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CC(C)N1CCC(=O)NC1=O

InChI

InChI=1S/C7H12N2O2/c1-5(2)9-4-3-6(10)8-7(9)11/h5H,3-4H2,1-2H3,(H,8,10,11)

InChIKey

UUTAKONPWRIWRH-UHFFFAOYSA-N

Compound name

1-propan-2-yl-1,3-diazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 17
Patents: 156.08987 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]+	157.09715	134.3
[M+Na]+	179.07909	144.4
[M+NH4]+	174.12369	140.8
[M+K]+	195.05303	140.2
[M-H]-	155.08259	133.3
[M+Na-2H]-	177.06454	137.3
[M]+	156.08932	135.0
[M]-	156.09042	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe