CID 135588790

2-chloro-6-methyl-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula

C₉H₇ClN₂O

SMILES

CC1=CC2=C(C=C1)N=C(NC2=O)Cl

InChI

InChI=1S/C9H7ClN2O/c1-5-2-3-7-6(4-5)8(13)12-9(10)11-7/h2-4H,1H3,(H,11,12,13)

InChIKey

DBWWLIVMTPOJSB-UHFFFAOYSA-N

Compound name

2-chloro-6-methyl-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 194.02469 Da
Monoisotopic Mass: 2.1
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]+	195.031966	135.8
[M+Na]+	217.013908	148.1
[M-H]-	193.017414	137.0
[M+NH4]+	212.058513	154.5
[M+K]+	232.987848	142.4
[M+H-H2O]+	177.021950	129.7
[M+HCOO]-	239.022891	151.8
[M+CH3COO]-	253.038541	149.4
[M+Na-2H]-	214.999356	144.2
[M]+	194.02414142	137.5
[M]-	194.02523858	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe