CID 135431271

19178-21-3

Structural Information

Molecular Formula

C₉H₁₂N₂O

SMILES

CC1=NC2=C(CCCC2)C(=O)N1

InChI

InChI=1S/C9H12N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2-5H2,1H3,(H,10,11,12)

InChIKey

POZNQGBUFZFKPQ-UHFFFAOYSA-N

Compound name

2-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 164.09496 Da
Monoisotopic Mass: 0.5
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]+	165.102236	133.6
[M+Na]+	187.084178	142.2
[M-H]-	163.087684	134.0
[M+NH4]+	182.128783	152.2
[M+K]+	203.058118	138.6
[M+H-H2O]+	147.092220	126.7
[M+HCOO]-	209.093161	151.5
[M+CH3COO]-	223.108811	146.1
[M+Na-2H]-	185.069626	141.2
[M]+	164.09441142	130.1
[M]-	164.09550858	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe