CID 9570476

5h-benzo(4,5)cyclohepta(1,2-b)pyridin-5-one, 10,11-dihydro-, o-(methylcarbamoyl)oxime

Structural Information

Molecular Formula

C₁₆H₁₅N₃O₂

SMILES

CNC(=O)O/N=C/1\C2=C(CCC3=CC=CC=C31)N=CC=C2

InChI

InChI=1S/C16H15N3O2/c1-17-16(20)21-19-15-12-6-3-2-5-11(12)8-9-14-13(15)7-4-10-18-14/h2-7,10H,8-9H2,1H3,(H,17,20)/b19-15-

InChIKey

FOMASEJNMWIVAC-CYVLTUHYSA-N

Compound name

[(Z)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylideneamino] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.11642 Da
Monoisotopic Mass: 2.8
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]+	282.123696	161.6
[M+Na]+	304.105638	167.8
[M-H]-	280.109144	168.2
[M+NH4]+	299.150243	177.5
[M+K]+	320.079578	168.9
[M+H-H2O]+	264.113680	154.3
[M+HCOO]-	326.114621	183.6
[M+CH3COO]-	340.130271	172.9
[M+Na-2H]-	302.091086	169.9
[M]+	281.11587142	159.5
[M]-	281.11696858	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.