CID 3053072

6h-dibenz(b,f)oxiren(d)azepine-6-glyoxylamide, 1a,10b-dihydro-

Structural Information

Molecular Formula

C₁₆H₁₂N₂O₃

SMILES

C1=CC=C2C(=C1)C3C(O3)C4=CC=CC=C4N2C(=O)C(=O)N

InChI

InChI=1S/C16H12N2O3/c17-15(19)16(20)18-11-7-3-1-5-9(11)13-14(21-13)10-6-2-4-8-12(10)18/h1-8,13-14H,(H2,17,19)

InChIKey

DWTSKYRANJXCKJ-UHFFFAOYSA-N

Compound name

2-(3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-yl)-2-oxoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 280.08478 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]+	281.092056	157.9
[M+Na]+	303.073998	167.5
[M-H]-	279.077504	165.2
[M+NH4]+	298.118603	168.7
[M+K]+	319.047938	167.8
[M+H-H2O]+	263.082040	152.0
[M+HCOO]-	325.082981	175.0
[M+CH3COO]-	339.098631	169.1
[M+Na-2H]-	301.059446	164.9
[M]+	280.08423142	159.3
[M]-	280.08532858	159.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.