CID 184847

Benolizime

Structural Information

Molecular Formula

C₁₉H₂₆N₂O₃

SMILES

COC1=C(C=C2C3CC(=NO)C4CCCCC4N3CCC2=C1)OC

InChI

InChI=1S/C19H26N2O3/c1-23-18-9-12-7-8-21-16-6-4-3-5-13(16)15(20-22)11-17(21)14(12)10-19(18)24-2/h9-10,13,16-17,22H,3-8,11H2,1-2H3

InChIKey

CADPBCPVJBOUEG-UHFFFAOYSA-N

Compound name

N-(9,10-dimethoxy-1,2,3,4,4a,6,7,11b,12,13a-decahydroisoquinolino[2,1-a]quinolin-13-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 330.19434 Da
Monoisotopic Mass: 3.0
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]+	331.201616	176.2
[M+Na]+	353.183558	180.6
[M-H]-	329.187064	179.1
[M+NH4]+	348.228163	191.3
[M+K]+	369.157498	176.4
[M+H-H2O]+	313.191600	167.0
[M+HCOO]-	375.192541	188.0
[M+CH3COO]-	389.208191	184.6
[M+Na-2H]-	351.169006	179.5
[M]+	330.19379142	172.1
[M]-	330.19488858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.