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	158.5
[M+Na]+	286.09509	177.2
[M+NH4]+	281.13969	167.9
[M+K]+	302.06903	169.6
[M-H]-	262.09859	161.8
[M+Na-2H]-	284.08054	166.6
[M]+	263.10532	162.4
[M]-	263.10642	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe