CID 6307

Quinethazone

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃O₃S

SMILES

CCC1NC2=CC(=C(C=C2C(=O)N1)S(=O)(=O)N)Cl

InChI

InChI=1S/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)

InChIKey

AGMMTXLNIQSRCG-UHFFFAOYSA-N

Compound name

7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 70
References: 7251
Patents: 289.02878 Da
Monoisotopic Mass: 1.2
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]+	290.036056	160.1
[M+Na]+	312.017998	169.7
[M-H]-	288.021504	159.1
[M+NH4]+	307.062603	174.0
[M+K]+	327.991938	162.7
[M+H-H2O]+	272.026040	155.2
[M+HCOO]-	334.026981	165.8
[M+CH3COO]-	348.042631	194.2
[M+Na-2H]-	310.003446	162.8
[M]+	289.02823142	159.4
[M]-	289.02932858	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe