CID 326315

Nsc297355

Structural Information

Molecular Formula

C₁₉H₁₈N₂O₂

SMILES

COC1=CC=C(C=C1)CN2CC3=C(C4=C(C=CC=N4)C=C3)OC2

InChI

InChI=1S/C19H18N2O2/c1-22-17-8-4-14(5-9-17)11-21-12-16-7-6-15-3-2-10-20-18(15)19(16)23-13-21/h2-10H,11-13H2,1H3

InChIKey

OKBYFSXSUDAQFL-UHFFFAOYSA-N

Compound name

3-[(4-methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 306.13684 Da
Monoisotopic Mass: 3.3
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]+	307.14412	172.2
[M+Na]+	329.12606	180.0
[M-H]-	305.12956	177.9
[M+NH4]+	324.17066	184.5
[M+K]+	345.10000	175.6
[M+H-H2O]+	289.13410	161.2
[M+HCOO]-	351.13504	188.0
[M+CH3COO]-	365.15069	182.5
[M+Na-2H]-	327.11151	179.7
[M]+	306.13629	172.7
[M]-	306.13739	172.7

Literature stripe

literature stripe

Patent stripe

patents stripe