CID 135964598

Chembl559047

Structural Information

Molecular Formula

C₁₅H₁₃N₅O₂

SMILES

CC1=CC(=C2C=C3C(=CC2=N1)OCO3)N/N=C/C4=NC=CN4

InChI

InChI=1S/C15H13N5O2/c1-9-4-12(20-18-7-15-16-2-3-17-15)10-5-13-14(22-8-21-13)6-11(10)19-9/h2-7H,8H2,1H3,(H,16,17)(H,19,20)/b18-7+

InChIKey

LNEASRRQGJJIJR-CNHKJKLMSA-N

Compound name

N-[(E)-1H-imidazol-2-ylmethylideneamino]-6-methyl-[1,3]dioxolo[4,5-g]quinolin-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 295.10693 Da
Monoisotopic Mass: 2.5
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]+	296.114206	163.5
[M+Na]+	318.096148	173.7
[M-H]-	294.099654	170.6
[M+NH4]+	313.140753	177.2
[M+K]+	334.070088	170.5
[M+H-H2O]+	278.104190	154.8
[M+HCOO]-	340.105131	185.4
[M+CH3COO]-	354.120781	175.7
[M+Na-2H]-	316.081596	170.8
[M]+	295.10638142	166.9
[M]-	295.10747858	166.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.