CID 24832329

Brn 6518982

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

CC(=O)NN1C2=C3C=CC=CC3CCC2=CC(=O)N1

InChI

InChI=1S/C14H15N3O2/c1-9(18)15-17-14-11(8-13(19)16-17)7-6-10-4-2-3-5-12(10)14/h2-5,8,10H,6-7H2,1H3,(H,15,18)(H,16,19)

InChIKey

OMPBGCBRBUBPJZ-UHFFFAOYSA-N

Compound name

N-(3-oxo-2,5,6,6a-tetrahydrobenzo[h]cinnolin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.11642 Da
Monoisotopic Mass: 1.2
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]+	258.123696	157.1
[M+Na]+	280.105638	163.8
[M-H]-	256.109144	157.8
[M+NH4]+	275.150243	172.2
[M+K]+	296.079578	158.9
[M+H-H2O]+	240.113680	148.9
[M+HCOO]-	302.114621	171.9
[M+CH3COO]-	316.130271	167.0
[M+Na-2H]-	278.091086	162.9
[M]+	257.11587142	152.4
[M]-	257.11696858	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.