CID 199411

Benzimidazo(2,1-b)quinazolin-12(5h)-one

Structural Information

Molecular Formula

C₁₄H₉N₃O

SMILES

C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4NC3=N2

InChI

InChI=1S/C14H9N3O/c18-13-9-5-1-2-6-10(9)15-14-16-11-7-3-4-8-12(11)17(13)14/h1-8H,(H,15,16)

InChIKey

ZNJPVCCDFJKUBS-UHFFFAOYSA-N

Compound name

6H-benzimidazolo[2,1-b]quinazolin-12-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 235.07455 Da
Monoisotopic Mass: 1.9
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]+	236.08183	149.4
[M+Na]+	258.06377	167.6
[M+NH4]+	253.10837	158.8
[M+K]+	274.03771	160.6
[M-H]-	234.06727	152.1
[M+Na-2H]-	256.04922	157.7
[M]+	235.07400	153.0
[M]-	235.07510	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe