CID 356023

Nsc611001

Structural Information

Molecular Formula

C₁₇H₁₃N₃O₂

SMILES

CC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2

InChI

InChI=1S/C17H13N3O2/c1-10(21)18-12-6-7-15-11(8-12)9-20-16(19-15)13-4-2-3-5-14(13)17(20)22/h2-8H,9H2,1H3,(H,18,21)

InChIKey

GIYORETUPYJWBA-UHFFFAOYSA-N

Compound name

N-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 291.10077 Da
Monoisotopic Mass: 1.3
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]+	292.108046	165.1
[M+Na]+	314.089988	174.8
[M-H]-	290.093494	169.2
[M+NH4]+	309.134593	182.6
[M+K]+	330.063928	169.2
[M+H-H2O]+	274.098030	156.7
[M+HCOO]-	336.098971	183.7
[M+CH3COO]-	350.114621	176.5
[M+Na-2H]-	312.075436	170.9
[M]+	291.10022142	166.0
[M]-	291.10131858	166.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.