CID 135418296

Quazinone

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃O

SMILES

C[C@@H]1C(=O)NC2=NC3=C(CN12)C(=CC=C3)Cl

InChI

InChI=1S/C11H10ClN3O/c1-6-10(16)14-11-13-9-4-2-3-8(12)7(9)5-15(6)11/h2-4,6H,5H2,1H3,(H,13,14,16)/t6-/m1/s1

InChIKey

BHZFZYLBVSWUMT-ZCFIWIBFSA-N

Compound name

(3R)-6-chloro-3-methyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 44
References: 987
Patents: 235.05124 Da
Monoisotopic Mass: 1.4
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]+	236.058516	151.2
[M+Na]+	258.040458	162.7
[M-H]-	234.043964	151.5
[M+NH4]+	253.085063	169.5
[M+K]+	274.014398	156.3
[M+H-H2O]+	218.048500	144.0
[M+HCOO]-	280.049441	162.7
[M+CH3COO]-	294.065091	162.9
[M+Na-2H]-	256.025906	155.5
[M]+	235.05069142	151.1
[M]-	235.05178858	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe