CID 13724869

107289-03-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂O

SMILES

CC(C)C1=C2C=CC=CC2=NC(=O)N1

InChI

InChI=1S/C11H12N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h3-7H,1-2H3,(H,12,13,14)

InChIKey

FMQSSEQZAJCYGS-UHFFFAOYSA-N

Compound name

4-propan-2-yl-3H-quinazolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 188.09496 Da
Monoisotopic Mass: 1.8
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]+	189.102236	139.6
[M+Na]+	211.084178	149.2
[M-H]-	187.087684	140.6
[M+NH4]+	206.128783	157.4
[M+K]+	227.058118	145.1
[M+H-H2O]+	171.092220	132.5
[M+HCOO]-	233.093161	158.7
[M+CH3COO]-	247.108811	181.9
[M+Na-2H]-	209.069626	147.0
[M]+	188.09441142	139.1
[M]-	188.09550858	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe