CID 380991

475638-35-8

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₃

SMILES

COC1=C(C=C2C(=C1)C(=O)N3CCCCCC3=N2)OC

InChI

InChI=1S/C15H18N2O3/c1-19-12-8-10-11(9-13(12)20-2)16-14-6-4-3-5-7-17(14)15(10)18/h8-9H,3-7H2,1-2H3

InChIKey

XDUNCLSLEFOXHI-UHFFFAOYSA-N

Compound name

2,3-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 274.13174 Da
Monoisotopic Mass: 1.6
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]+	275.139016	159.3
[M+Na]+	297.120958	167.5
[M-H]-	273.124464	163.5
[M+NH4]+	292.165563	174.5
[M+K]+	313.094898	168.2
[M+H-H2O]+	257.129000	151.7
[M+HCOO]-	319.129941	176.4
[M+CH3COO]-	333.145591	170.6
[M+Na-2H]-	295.106406	165.4
[M]+	274.13119142	159.0
[M]-	274.13228858	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.