CID 136141557

2-(6-fluoro-3,4-dihydro-2h-1-benzopyran-3-yl)-6-(1h-pyrazol-4-yl)-3,4-dihydroquinazolin-4-one

Structural Information

Molecular Formula

SMILES

C1C(COC2=C1C=C(C=C2)F)C3=NC4=C(C=C(C=C4)C5=CNN=C5)C(=O)N3

InChI

InChI=1S/C20H15FN4O2/c21-15-2-4-18-12(6-15)5-13(10-27-18)19-24-17-3-1-11(14-8-22-23-9-14)7-16(17)20(26)25-19/h1-4,6-9,13H,5,10H2,(H,22,23)(H,24,25,26)

InChIKey

XDELXZOHBBBNOX-UHFFFAOYSA-N

Compound name

2-(6-fluoro-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one

Related CIDs

2D Structure

1
Annotation Hits: 1
References: 1
Patents: 362.1179 Da
Monoisotopic Mass: 2.4
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]+	363.12518	184.9
[M+Na]+	385.10712	195.7
[M-H]-	361.11062	188.8
[M+NH4]+	380.15172	192.7
[M+K]+	401.08106	187.2
[M+H-H2O]+	345.11516	172.7
[M+HCOO]-	407.11610	197.1
[M+CH3COO]-	421.13175	193.6
[M+Na-2H]-	383.09257	188.6
[M]+	362.11735	182.4
[M]-	362.11845	182.4

Literature stripe

Patent stripe