CID 46952635

1214593-92-6

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₂

SMILES

C1CC1N2CC3=CC4=CC=CC=C4N=C3OC2=O

InChI

InChI=1S/C14H12N2O2/c17-14-16(11-5-6-11)8-10-7-9-3-1-2-4-12(9)15-13(10)18-14/h1-4,7,11H,5-6,8H2

InChIKey

HXCFGHVYBHEWGP-UHFFFAOYSA-N

Compound name

3-cyclopropyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.08987 Da
Monoisotopic Mass: 2.4
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]+	241.097146	160.3
[M+Na]+	263.079088	171.3
[M-H]-	239.082594	167.0
[M+NH4]+	258.123693	171.1
[M+K]+	279.053028	167.1
[M+H-H2O]+	223.087130	150.9
[M+HCOO]-	285.088071	177.1
[M+CH3COO]-	299.103721	171.7
[M+Na-2H]-	261.064536	167.6
[M]+	240.08932142	162.1
[M]-	240.09041858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.