CID 208641

Brn 0544166

Structural Information

Molecular Formula

C₁₆H₁₃N₃O

SMILES

CCN1C2=CC=CC=C2N3C1=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C16H13N3O/c1-2-18-13-9-5-6-10-14(13)19-15(20)11-7-3-4-8-12(11)17-16(18)19/h3-10H,2H2,1H3

InChIKey

SGMIEHZGPNSWJI-UHFFFAOYSA-N

Compound name

6-ethylbenzimidazolo[2,1-b]quinazolin-12-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 263.10587 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]+	264.11315	159.4
[M+Na]+	286.09509	173.7
[M-H]-	262.09859	163.4
[M+NH4]+	281.13969	177.5
[M+K]+	302.06903	166.8
[M+H-H2O]+	246.10313	150.4
[M+HCOO]-	308.10407	180.7
[M+CH3COO]-	322.11972	172.7
[M+Na-2H]-	284.08054	168.6
[M]+	263.10532	165.2
[M]-	263.10642	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe