CID 9570528

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

Structural Information

Molecular Formula

C₁₉H₁₉N₃O₃

SMILES

C1CC2=C(C=CC=N2)/C(=N\OC(=O)N3CCOCC3)/C4=CC=CC=C41

InChI

InChI=1S/C19H19N3O3/c23-19(22-10-12-24-13-11-22)25-21-18-15-5-2-1-4-14(15)7-8-17-16(18)6-3-9-20-17/h1-6,9H,7-8,10-13H2/b21-18-

InChIKey

MSACCZVXAZWMJY-UZYVYHOESA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 337.14264 Da
Monoisotopic Mass: 2.6
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]+	338.149916	176.9
[M+Na]+	360.131858	181.2
[M-H]-	336.135364	184.3
[M+NH4]+	355.176463	187.4
[M+K]+	376.105798	182.2
[M+H-H2O]+	320.139900	166.8
[M+HCOO]-	382.140841	192.0
[M+CH3COO]-	396.156491	185.8
[M+Na-2H]-	358.117306	182.9
[M]+	337.14209142	172.0
[M]-	337.14318858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.