CID 69778483

Pyrrolo[2,1-b]quinazolin-9(1h)-one

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

C1C=CC2=NC3=CC=CC=C3C(=O)N21

InChI

InChI=1S/C11H8N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-6H,7H2

InChIKey

CHHBADVEMSBGFP-UHFFFAOYSA-N

Compound name

1H-pyrrolo[2,1-b]quinazolin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 184.06366 Da
Monoisotopic Mass: 1.0
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]+	185.07094	136.3
[M+Na]+	207.05288	151.7
[M+NH4]+	202.09748	146.1
[M+K]+	223.02682	145.7
[M-H]-	183.05638	138.8
[M+Na-2H]-	205.03833	143.7
[M]+	184.06311	139.2
[M]-	184.06421	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe