CID 4586525

23380-89-4

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₂

SMILES

COC1=CC=C(C=C1)C23CCCN2C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C18H18N2O2/c1-22-14-9-7-13(8-10-14)18-11-4-12-20(18)16-6-3-2-5-15(16)17(21)19-18/h2-3,5-10H,4,11-12H2,1H3,(H,19,21)

InChIKey

VKSGEJUKUQEJQV-UHFFFAOYSA-N

Compound name

3a-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]quinazolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 294.13684 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]+	295.144116	169.6
[M+Na]+	317.126058	177.5
[M-H]-	293.129564	173.8
[M+NH4]+	312.170663	187.0
[M+K]+	333.099998	171.4
[M+H-H2O]+	277.134100	160.3
[M+HCOO]-	339.135041	184.9
[M+CH3COO]-	353.150691	179.8
[M+Na-2H]-	315.111506	173.8
[M]+	294.13629142	166.7
[M]-	294.13738858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.