CID 136879586

Methoxy(methylamino)[?]one

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂

SMILES

CN=C1C=NC2=C3C1=NC=CC3=CC(=C2O)OC

InChI

InChI=1S/C13H11N3O2/c1-14-8-6-16-12-10-7(3-4-15-11(8)10)5-9(18-2)13(12)17/h3-6,17H,1-2H3

InChIKey

UJSXJKAMOMBFJM-UHFFFAOYSA-N

Compound name

11-methoxy-4-methylimino-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),2,5,7,9,11-hexaen-12-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 241.08513 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]+	242.092406	152.8
[M+Na]+	264.074348	163.3
[M-H]-	240.077854	155.6
[M+NH4]+	259.118953	170.3
[M+K]+	280.048288	159.3
[M+H-H2O]+	224.082390	144.5
[M+HCOO]-	286.083331	173.2
[M+CH3COO]-	300.098981	165.3
[M+Na-2H]-	262.059796	162.3
[M]+	241.08458142	156.0
[M]-	241.08567858	156.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.