CID 3566586

60750-37-0

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C12H12N2O3/c1-7-9(11(15)16)10(14-12(17)13-7)8-5-3-2-4-6-8/h2-6,10H,1H3,(H,15,16)(H2,13,14,17)

InChIKey

RJPIEFIYDRBNFF-UHFFFAOYSA-N

Compound name

6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 232.0848 Da
Monoisotopic Mass: 0.7
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]+	233.09208	151.8
[M+Na]+	255.07402	158.8
[M-H]-	231.07752	151.9
[M+NH4]+	250.11862	164.7
[M+K]+	271.04796	153.8
[M+H-H2O]+	215.08206	144.2
[M+HCOO]-	277.08300	166.7
[M+CH3COO]-	291.09865	183.7
[M+Na-2H]-	253.05947	154.2
[M]+	232.08425	146.3
[M]-	232.08535	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe