CID 321682

Nsc274558

Structural Information

Molecular Formula

C₁₉H₁₇ClN₂O

SMILES

CC1=CC2=C(C3=C1C=CC=N3)OCN(C2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H17ClN2O/c1-13-9-15-11-22(10-14-4-6-16(20)7-5-14)12-23-19(15)18-17(13)3-2-8-21-18/h2-9H,10-12H2,1H3

InChIKey

QMZSAWNFUFZLDX-UHFFFAOYSA-N

Compound name

3-[(4-chlorophenyl)methyl]-6-methyl-2,4-dihydropyrido[3,2-h][1,3]benzoxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.10294 Da
Monoisotopic Mass: 4.4
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]+	325.110216	176.5
[M+Na]+	347.092158	186.1
[M-H]-	323.095664	182.2
[M+NH4]+	342.136763	189.4
[M+K]+	363.066098	179.7
[M+H-H2O]+	307.100200	166.1
[M+HCOO]-	369.101141	187.4
[M+CH3COO]-	383.116791	186.8
[M+Na-2H]-	345.077606	182.6
[M]+	324.10239142	178.3
[M]-	324.10348858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.