CID 478657

Schembl9100562

Structural Information

Molecular Formula

C₁₈H₁₂N₂O₄

SMILES

CCOC(=O)C1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4C3=O)C2=O

InChI

InChI=1S/C18H12N2O4/c1-2-24-18(23)10-7-8-14-12(9-10)15(21)16-19-13-6-4-3-5-11(13)17(22)20(14)16/h3-9H,2H2,1H3

InChIKey

WUYCDRGAKUSXRB-UHFFFAOYSA-N

Compound name

ethyl 6,12-dioxoindolo[2,1-b]quinazoline-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 320.0797 Da
Monoisotopic Mass: 2.3
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]+	321.08698	171.6
[M+Na]+	343.06892	183.4
[M-H]-	319.07242	176.4
[M+NH4]+	338.11352	188.3
[M+K]+	359.04286	178.2
[M+H-H2O]+	303.07696	163.3
[M+HCOO]-	365.07790	190.6
[M+CH3COO]-	379.09355	183.6
[M+Na-2H]-	341.05437	176.6
[M]+	320.07915	177.3
[M]-	320.08025	177.3

Literature stripe

literature stripe

Patent stripe

patents stripe