CID 208415

Norrimazole carboxylic acid

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

CC1CCCC2=NC=C(C(=O)N12)C(=O)O

InChI

InChI=1S/C10H12N2O3/c1-6-3-2-4-8-11-5-7(10(14)15)9(13)12(6)8/h5-6H,2-4H2,1H3,(H,14,15)

InChIKey

KOXNRJHZWXSKMF-UHFFFAOYSA-N

Compound name

6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 11
Patents: 208.0848 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]+	209.09208	142.7
[M+Na]+	231.07402	151.6
[M-H]-	207.07752	143.4
[M+NH4]+	226.11862	159.5
[M+K]+	247.04796	148.8
[M+H-H2O]+	191.08206	135.7
[M+HCOO]-	253.08300	159.7
[M+CH3COO]-	267.09865	184.3
[M+Na-2H]-	229.05947	147.9
[M]+	208.08425	141.6
[M]-	208.08535	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe